SCHEMBL6496508

SCHEMBL6496508

Cc1sc(-c2ccccc2Cl)nc1C(=O)NCC(c1ccc(OC(C)C)cc1)C(OC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
HPGD P15428 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 2/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
TP53 P04637 3/20 0.33
CTSA P10619 1/20 0.33
CNR2 P34972 1/20 0.33
HTR2C P28335 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL6505584 0.92 DGAT1 (0.38) FFAR2HPGDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL6503012 0.91 MAPT (0.39) FFAR2ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL7684255 0.90 SHMT1 (0.40) HPGDNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6506148 0.89 KMT2A (0.38) FFAR2ALDH1A1SMN1; SMN2KCNH2RXFP1
SCHEMBL7676306 0.85 MAPT (0.42) HPGDNPSR1ALDH1A1MAPTGAA
SCHEMBL6496054 0.83 KDM4E (0.40) HPGDNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6498480 0.82 CTSA (0.39) ALDH1A1SMN1; SMN2MAPTGAATP53
SCHEMBL6496229 0.80 SHMT1 (0.36) HPGDALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL6495548 0.79 TP53 (0.40) HPGDNPSR1SMN1; SMN2MAPTGAA
SCHEMBL6495786 0.77 NPC1 (0.38) NPSR1ALDH1A1SMN1; SMN2GAATP53

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