SCHEMBL6505584

SCHEMBL6505584

CCOc1ccc(C(CNC(=O)c2nc(-c3ccccc3Cl)sc2C)C(OC(C)C)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
ACACB O00763 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 5/20 0.36
FFAR2 O15552 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6503012 0.94 MAPT (0.39) ACACBMAPTFFAR2LMNATP53
SCHEMBL6496508 0.92 FFAR2 (0.35) NPSR1HPGDMAPTFFAR2LMNA
SCHEMBL6496054 0.91 KDM4E (0.40) ACACBNPSR1HPGDMAPTTP53
SCHEMBL6495548 0.87 TP53 (0.40) ACACBNPSR1HPGDMAPTTP53
SCHEMBL6506148 0.87 KMT2A (0.38) ACACBFFAR2RXFP1MEN1KMT2A
SCHEMBL6504635 0.85 MAPT (0.47) ACACBNPSR1HPGDMAPTLMNA
SCHEMBL6495786 0.81 NPC1 (0.38) NPSR1LMNATP53NPC1RAB9A
SCHEMBL6496229 0.78 SHMT1 (0.36) ACACBHPGDMAPTRXFP1MEN1
SCHEMBL7676306 0.77 MAPT (0.42) NPSR1HPGDMAPTLMNATP53
SCHEMBL6503799 0.76 EGLN2 (0.35) DGAT1ACACBMAPTTP53RXFP1

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