SCHEMBL7962882

SCHEMBL7962882

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
LMNA P02545 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EP300 Q09472 2/20 0.36
TSHR P16473 3/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6981593 0.85 LTB4R2 (0.52) NR3C1LMNALTB4R2ALDH1A1MEN1
SCHEMBL6980751 0.84 NOTUM (0.44) NR3C1LMNALTB4R2ALDH1A1MEN1
SCHEMBL6986006 0.84 NR3C1 (0.46) NR3C1LMNAALDH1A1MEN1HPGD
SCHEMBL7962885 0.83 NR3C1 (0.41) NR3C1LMNALTB4R2ALDH1A1MEN1
SCHEMBL6985998 0.81 NR3C1 (0.47) NR3C1LMNAALDH1A1MEN1HPGD
SCHEMBL6987628 0.80 NR3C1 (0.48) NR3C1LMNAALDH1A1MEN1HPGD
SCHEMBL6982684 0.80 KDM1A (0.43) NR3C1LMNAALDH1A1MEN1HPGD
SCHEMBL7958761 0.79 NR3C1 (0.41) NR3C1LMNAALDH1A1MEN1HPGD
SCHEMBL6979167 0.78 KDM1A (0.47) NR3C1LMNAALDH1A1MEN1HPGD
SCHEMBL6980094 0.78 KDM1A (0.42) NR3C1LMNALTB4R2ALDH1A1MEN1

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