SCHEMBL6504635

SCHEMBL6504635

CCOc1ccc(C(CNC(=O)c2nc(-c3ccc(C)cc3)sc2C)C(OC(C)C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ACACB O00763 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
AURKA O14965 1/20 0.36
THRB P10828 1/20 0.36
TARBP2 Q15633 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6495548 0.93 TP53 (0.40) MAPTACACBHPGDNPSR1MEN1
SCHEMBL7676306 0.91 MAPT (0.42) MAPTHPGDNPSR1MEN1KMT2A
SCHEMBL6495786 0.87 NPC1 (0.38) NPSR1LMNATP53RARBPPARG
SCHEMBL6495943 0.86 FFAR1 (0.39) MAPTACACBPPARGPPARASMN1; SMN2
SCHEMBL6505584 0.85 DGAT1 (0.38) MAPTACACBHPGDNPSR1MEN1
SCHEMBL6496054 0.84 KDM4E (0.40) MAPTACACBHPGDNPSR1MEN1
SCHEMBL6503799 0.82 EGLN2 (0.35) MAPTACACBTP53SMN1; SMN2ALDH1A1
SCHEMBL6502680 0.81 CDC7 (0.41) MAPTHPGDMEN1KMT2ALMNA
SCHEMBL6497551 0.80 P2RX3 (0.37) ACACBMEN1KMT2APPARGPPARA
SCHEMBL6503012 0.79 MAPT (0.39) MAPTACACBMEN1KMT2ALMNA

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