SCHEMBL6506444

SCHEMBL6506444

COc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.73
HTT P42858 1/20 0.71
HPGD P15428 4/20 0.67
PPARD Q03181 3/20 0.63
PPARA Q07869 3/20 0.63
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.59
PPARG P37231 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.57

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
SCHEMBL3062492 0.87 MTNR1A (0.60) HDAC1HTTHPGDPPARDPPARA
SCHEMBL6848785 0.86 HTT (0.83) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL13947285 0.85 HDAC1 (0.79) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL6570631 0.85 HDAC1 (1.00) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL27610689 0.85 HDAC1 (0.79) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL14082594 0.84 HTT (0.61) HDAC1HTTHPGDPPARDPPARA
SCHEMBL94368 0.83 HDAC1 (0.77) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL12218093 0.83 HDAC1 (0.82) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL12218248 0.83 HDAC1 (0.77) HDAC1HTTHPGDALDH1A1GAA
SCHEMBL1568381 0.83 HDAC1 (0.72) HDAC1HTTHPGDALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed