SCHEMBL7221015

SCHEMBL7221015

CC(=O)c1c(-c2ccccc2C(C)C)cc(C)n(CC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
APEX1 P27695 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 3/20 0.34
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
TRPC5 Q9UL62 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
SCHEMBL7220252 0.86 RAB9A (0.46) KDM4EKMT2ACYP2C9CA12CA9
SCHEMBL7214003 0.85 KDM4E (0.39) KDM4EKMT2ALMNACYP2C9PTGDR
SCHEMBL11265517 0.74 APEX1 (0.45) KDM4EKMT2ALMNAAPEX1CA12
SCHEMBL7214727 0.73 F2 (0.56) KDM4EHPGDALDH1A1
SCHEMBL7221090 0.72 L3MBTL1 (0.48) KDM4EKMT2ALMNACYP2C9TSHR
SCHEMBL7216081 0.71 RAB9A (0.45) KDM4EKMT2ACYP2C9CA12CA9
SCHEMBL7221018 0.67 KDM4E (0.38) KDM4ECYP2C9HPGDCYP3A4CYP2C19
Hydrogen Peroxide SCHEMBL9644435 0.66 GABRA1 (0.56) KMT2ALMNACA12CA9TSHR
SCHEMBL4307241 0.65 L3MBTL1 (0.55) KDM4EKMT2AAPEX1ALDH1A1
SCHEMBL7220255 0.65 KMT2A (0.41) KDM4EKMT2ALMNASMN1; SMN2TSHR

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-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed