SCHEMBL2392472

SCHEMBL2392472

C=CCOC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SNCA P37840 1/20 0.47
RHOA P61586 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
UNG P13051 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phosphine SCHEMBL10982972 0.98 CYP3A4 (0.53) CYP3A4FFAR1ALDH1A1TSHRHSD17B10
SCHEMBL8667898 0.95 CYP3A4 (0.50) CYP3A4FFAR1ALDH1A1TSHRHSD17B10
Isophthalic Acid SCHEMBL28712224 0.95 CYP3A4 (0.53) CYP3A4FFAR1ALDH1A1TSHRHSD17B10
Benzene SCHEMBL29140663 0.95 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL157805 0.93 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL16372021 0.93 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL9576387 0.90 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10SNCA
Isophthalic Acid SCHEMBL28117578 0.89 CYP3A4 (0.73) CYP3A4FFAR1ALDH1A1TSHRHSD17B10
Phthalic Acid SCHEMBL15689679 0.89 CYP3A4 (0.63) CYP3A4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL10765178 0.87 CYP3A4 (0.51) CYP3A4FFAR1ALDH1A1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 153 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050658-B Corrosion inhibition and rust prevention composite paint and preparation method and application thereof 亚培烯科技(上海)有限公司 2024-05-28 CN claimed
WO-2024085147-A1 ELECTROSTATIC CHARGE DEVELOPMENT TONER 花王株式会社 2024-04-25 WO claimed
CN-116895759-A Positive electrode material dispersing agent composition and preparation method and application thereof 深圳市皓飞新型材料有限公司 2023-10-17 CN claimed
CN-113692425-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2023-06-30 CN claimed
CN-116217848-A Preparation method of phenolic resin containing unsaturated double bond structure 沈阳化工大学 2023-06-06 CN claimed
CN-115466532-B Michael addition curable composition, coating composition comprising the same, and coated article 广东华润涂料有限公司 2023-05-02 CN claimed
EP-3964543-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEMICAL LTD (KR) 2023-03-15 EP claimed
CN-115466532-A Michael addition curable composition, coating composition comprising the same, and coated article 广东华润涂料有限公司 2022-12-13 CN claimed
US-20220162421-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2022-05-26 US claimed
CN-113692425-A Plasticizer composition and resin composition comprising the same 株式会社LG化学 2021-11-23 CN claimed
WO-2006033438-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER SHOWA DENKO K.K. (JP) 2006-03-30 WO claimed
EP-1194420-A1 PREPARATION OF AN AROMATIC BISOXAZOLINE DSM N.V. (NL) 2002-04-10 EP claimed
WO-2001004104-A1 PREPARATION OF AN AROMATIC BISOXAZOLINE DSM N.V. (NL) 2001-01-18 WO claimed
EP-0548176-A1 A METHOD AND AN APPARATUS FOR MANUFACTURING AN ARTICLE OF A COMPOSITE MATERIAL, AN ARTICLE, DISC BRAKE, A COMMUTATOR AND A COMMUTATOR BRUSH MADE BY THE METHOD. OBTEC AS (DK) 1993-06-30 EP claimed
WO-1992005023-A1 A METHOD AND AN APPARATUS FOR MANUFACTURING AN ARTICLE OF A COMPOSITE MATERIAL, AN ARTICLE, DISC BRAKE, A COMMUTATOR AND A COMMUTATOR BRUSH MADE BY THE METHOD OBTEC A/S (DK) 1992-04-02 WO claimed
US-4599397-A MELT-MOLDABLE MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1986-07-08 US claimed
US-4417011-A UNSATURATED POLYESTER MITSUI TOATSU CHEMICALS, INC. (JP) 1983-11-22 US claimed
EP-0016665-B1 PROCESS FOR THE PREPARATION OF XANTHONE DERIVATIVES ROUSSEL-UCLAF (FR) 1982-05-05 EP claimed
US-4186257-A POLYETHERS, POLYESTERS, POLYTHIOETHERS BAYER AKTIENGESELLSCHAFT (DE) 1980-01-29 US claimed
US-4096122-A Process for the production of polyesters of 1,4-butanediol DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1978-06-20 US claimed