SCHEMBL8466568

SCHEMBL8466568

COc1ccc(-c2c3c(cc4ccc(OC(C)C)cc24)CNC3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.44
MAPKAPK2 P49137 3/20 0.41
AURKA O14965 3/20 0.39
MAP3K9 P80192 2/20 0.38
MAP3K11 Q16584 2/20 0.38
ALOX5 P09917 2/20 0.38
GPR35 Q9HC97 1/20 0.35
HSD11B1 P28845 1/20 0.35
ROCK2 O75116 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
FLT4 P35916 2/20 0.34
PLK4 O00444 1/20 0.34
NUAK1 O60285 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL8084959 0.83 ALOX5 (0.47) KDRMAPKAPK2AURKAMAP3K9MAP3K11
SCHEMBL8468841 0.82 ALOX5 (0.53) KDRMAPKAPK2AURKAMAP3K9MAP3K11
SCHEMBL8467392 0.73 RXFP1 (0.52) KDRMAPKAPK2ALOX5ROCK2RXFP1
SCHEMBL8072870 0.72 ALOX5 (0.55) KDRMAPKAPK2AURKAALOX5ROCK2
SCHEMBL8082188 0.68 ALOX5 (0.49) ALOX5ROCK2CDK4CCND1
SCHEMBL20992953 0.68 MAP3K9 (0.47) MAPKAPK2MAP3K9MAP3K11PDE3BPDE3A
SCHEMBL20992951 0.68 CLK4 (0.47) KDRMAP3K9MAP3K11FLT3NTRK1
SCHEMBL8085101 0.68 ALOX5 (0.52) KDRMAPKAPK2ALOX5ROCK2
SCHEMBL8081908 0.67 ALOX5 (0.49) MAPKAPK2ALOX5GPR35ROCK2
SCHEMBL26506265 0.67 ABCG2 (0.47) KDRMAPKAPK2AURKAALOX5FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed