SCHEMBL8969122

SCHEMBL8969122

C=C(C(=O)OCC)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
ALDH1A1 P00352 10/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
HPGD P15428 6/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
TP53 P04637 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CTNNB1 P35222 1/20 0.45

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
SCHEMBL14934931 0.84 ALDH1A1 (0.58) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL28324054 0.83 TSHR (0.49) TSHRALDH1A1RAB9ANPC1HPGD
SCHEMBL1128796 0.83 CES2 (0.59) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL18734638 0.83 RAB9A (0.50) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL11878300 0.83 ALDH1A1 (0.45) TSHRALDH1A1RAB9ANPC1HPGD
SCHEMBL7702480 0.81 CES2 (0.50) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL28941987 0.80 ALDH1A1 (0.55) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL14034553 0.80 ALDH1A1 (0.48) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL422787 0.79 RAB9A (0.62) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL9661207 0.79 ALDH1A1 (0.50) TSHRALDH1A1MAPTRAB9ANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397658-B Benzyl (meth) acrylate monomers suitable for microstructured optical films 3M创新有限公司 2019-12-10 CN disclosed
CN-101054373-A Method of synthesizing (E)-4-[2-Butyl-5-(2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid and salt thereof SHANGHAI KESHENG PHARMACEUTICA (CN) 2007-10-17 CN disclosed
EP-0696306-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1996-02-14 EP disclosed
WO-1994025535-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1994-11-10 WO disclosed
US-5324788-A A copolymer of a 4-acyloxystyrene and an acrylate modified by an alcohol to effect an ester interchange, an aminoplast crosslinking agent and solvent; enamel coatings; acid and solvent resistance; hardness; gloss; autos EASTMAN KODAK COMPANY (US) 1994-06-28 US disclosed
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 EP disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 EP disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 US disclosed