SCHEMBL7962885

SCHEMBL7962885

CCOC(=C=O)CC(=O)N(Cc1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
TP53 P04637 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
EP300 Q09472 2/20 0.37

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
SCHEMBL6980751 0.89 NOTUM (0.44) NR3C1TP53LTB4R2PARP1ALDH1A1
SCHEMBL6981593 0.87 LTB4R2 (0.52) NR3C1TP53LTB4R2ALDH1A1MEN1
SCHEMBL6986006 0.85 NR3C1 (0.46) NR3C1TP53PARP1ALDH1A1MEN1
SCHEMBL6982684 0.85 KDM1A (0.43) NR3C1TP53PARP1ALDH1A1MEN1
SCHEMBL6985998 0.83 NR3C1 (0.47) NR3C1TP53PARP1ALDH1A1MEN1
SCHEMBL7962882 0.83 NR3C1 (0.39) NR3C1TP53LTB4R2PARP1ALDH1A1
SCHEMBL7958945 0.82 PDK1 (0.41) NR3C1TP53PARP1ALDH1A1MEN1
SCHEMBL6984164 0.81 KDM1A (0.43) NR3C1TP53ALDH1A1MEN1HPGD
SCHEMBL6987628 0.80 NR3C1 (0.48) NR3C1TP53PARP1ALDH1A1MEN1
SCHEMBL6979167 0.80 KDM1A (0.47) NR3C1TP53PARP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed