SCHEMBL6496601

SCHEMBL6496601

COc1ccc(C(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)C(OC(C)C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
FFAR1 O14842 1/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
P2RX7 Q99572 1/20 0.39
SCN9A Q15858 1/20 0.39
ATM Q13315 1/20 0.39
MDM2 Q00987 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL6503268 0.72 NPC1 (0.60) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL6496595 0.71 PPARA (0.56) PPARG
SCHEMBL6503799 0.71 EGLN2 (0.35) SMN1; SMN2MAPTEGLN2EGLN1
SCHEMBL6022882 0.69 KMT2A (0.54) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL6495572 0.69 EGLN2 (0.34) LMNAMAPTEGLN2EGLN1
SCHEMBL2169418 0.69 PKM (0.57) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL6502680 0.68 CDC7 (0.41) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL6505070 0.68 TRPV1 (0.35) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL6449845 0.67 TMPRSS4 (0.55) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL6496054 0.67 KDM4E (0.40) KMT2AMEN1POLBSMN1; SMN2MAPT

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed