SCHEMBL7543641

SCHEMBL7543641

CC(=O)c1cccc(C2=CC(C)(C)C=CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
TDP2 O95551 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHEK1 O14757 1/20 0.39
HDAC2 Q92769 1/20 0.39
CXCR3 P49682 1/20 0.38
MAP4K4 O95819 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CSNK1G2 P78368 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
MAP4K5 Q9Y4K4 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
NPY5R Q15761 1/20 0.38
PRKDC P78527 1/20 0.38
KDR P35968 2/20 0.36
MAPK8 P45983 2/20 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
SCHEMBL7694363 0.86 L3MBTL1 (0.45) ALDH1A1
SCHEMBL10389918 0.72 MAP4K4 (0.59) PGRTDP2BRD4BRD2CREBBP
SCHEMBL2586835 0.70 KMO (0.59) PGRTDP2BRD4BRD2CREBBP
SCHEMBL29446517 0.67 KMO (0.67) TDP2CHEK1HDAC2MAP4K4CLK4
SCHEMBL407605 0.67 KMO (0.67) TDP2CHEK1HDAC2MAP4K4CLK4
SCHEMBL29924254 0.67 BRD4 (0.46) PGRTDP2BRD4BRD2CREBBP
SCHEMBL11675977 0.66 SERPINE1 (0.52) TDP2BRD4BRD2CREBBPALDH1A1
SCHEMBL279656 0.66 ALDH1A1 (0.59) CREBBPALDH1A1
SCHEMBL10389377 0.66 MAPT (0.69) PGRTDP2CHEK1HDAC2MAP4K4
SCHEMBL29951818 0.66 KMO (0.70) HDAC2MAP4K4CLK4CSNK1G2MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543155-A 2002-12-17 JP claimed
JP-2002543193-A 2002-12-17 JP claimed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP claimed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP claimed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed