SCHEMBL3790673

SCHEMBL3790673

CC(C)(C)OC(=O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.51
EPHX2 P34913 1/20 0.51
FFAR1 O14842 8/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SRD5A2 P31213 1/20 0.49
KEAP1 Q14145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL30873953 0.95 RXRA (0.56) NR1H4EPHX2FFAR1RXRARXRB
SCHEMBL21577923 0.89 HSD17B10 (0.55) NR1H4RXRARXRBRXRGL3MBTL1
SCHEMBL1743772 0.88 MAPT (0.54) NR1H4RXRAHSD17B10NR1H2NR1H3
SCHEMBL8329035 0.85 NR1H2 (0.48) NR1H4EPHX2LMNANR1H2NR1H3
SCHEMBL14966328 0.85 HDAC1 (0.50) FFAR1LMNAHSD17B10CA12CA1
SCHEMBL7582610 0.84 ADRB2 (0.48) L3MBTL1LMNAHSD17B10CA12CA1
SCHEMBL30722327 0.83 RXRA (0.47) NR1H4EPHX2FFAR1RXRARXRB
SCHEMBL13891334 0.83 PLK1 (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL2207588 0.83 CYP4A11 (0.60) CA12CA1CA2CA9CA14
SCHEMBL1000794 0.83 NR1H4 (0.49) NR1H4EPHX2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119013287-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-11-22 CN disclosed
CN-118930548-A Menin-MLL protein inhibitor, pharmaceutical composition and application thereof 赛诺哈勃药业(成都)有限公司 2024-11-12 CN disclosed
CN-118613490-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-09-06 CN disclosed
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 EP disclosed
CN-117940445-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-04-26 CN disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed
US-4742052-A Antibacterial β-lactam compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-05-03 US disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 EP disclosed