SCHEMBL8337221

SCHEMBL8337221

COC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(-c2ccc(F)cc2F)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
DHFR P00374 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
ALB P02768 1/20 0.51
HMGB1 P09429 1/20 0.51
HPGD P15428 1/20 0.51
CXCL12 P48061 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
ACMSD Q8TDX5 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CDK2 P24941 3/20 0.48
HDAC1 Q13547 4/20 0.48

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
SCHEMBL5926415 0.90 ALB (0.55) KDM4EALDH1A1MEN1USP2DHFR
SCHEMBL4831777 0.90 CDK2 (0.55) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL4831785 0.90 CDK2 (0.55) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL5926546 0.89 MMEL1 (0.49) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL4831913 0.88 CDK2 (0.53) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL4829786 0.87 CDK2 (0.59) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL4829792 0.87 CDK2 (0.59) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL4829649 0.86 CDK2 (0.53) KDM4EALDH1A1CDK2HDAC1HDAC6
SCHEMBL5926398 0.84 CDK2 (0.52) KDM4EALDH1A1KMT2ACDK2HDAC1
SCHEMBL6401251 0.84 CDK2 (0.51) KDM4EALDH1A1CDK2HDAC1HDAC6

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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed