SCHEMBL7381985

SCHEMBL7381985

C[C@H](CNC(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
NTSR1 P30989 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSS P25774 1/20 0.43
MAPT P10636 2/20 0.43
PPARA Q07869 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ATM Q13315 1/20 0.43
KLK5 Q9Y337 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL7301216 0.88 SYK (0.55) SYKNTSR1L3MBTL1IDO1MEN1
SCHEMBL11682127 0.84 SYK (0.58) SYKNTSR1L3MBTL1CTSSMAPT
SCHEMBL25391654 0.84 SYK (0.56) SYKNPFFR1NPFFR2L3MBTL1IDO1
SCHEMBL8167921 0.84 SYK (0.56) SYKNPFFR1NPFFR2L3MBTL1IDO1
SCHEMBL8180866 0.84 SYK (0.56) SYKNPFFR1NPFFR2L3MBTL1IDO1
SCHEMBL7275193 0.83 HSD17B10 (0.53) SYKL3MBTL1CTSSMAPTMAPK1
SCHEMBL28884211 0.83 SYK (0.62) SYKCTSSPPARA
SCHEMBL27450774 0.83 SYK (0.62) SYKCTSSPPARA
SCHEMBL24050025 0.82 SYK (0.56) SYKNTSR1L3MBTL1MEN1KMT2A
SCHEMBL23455619 0.82 SYK (0.61) SYKNPFFR1NPFFR2CTSSPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
EP-0810994-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
US-5719162-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-17 US disclosed
US-5719144-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-17 US disclosed
EP-0810994-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-12-10 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
WO-1996026187-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-29 WO disclosed