SCHEMBL6498113

SCHEMBL6498113

COc1ccc(Br)cc1COCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
PTGER1 P34995 1/20 0.45
FFAR1 O14842 1/20 0.43
FFAR2 O15552 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3889845 0.85 SLC6A4 (0.52) SLC6A4PTGER1FFAR1FFAR2FFAR4
SCHEMBL22721638 0.83 IDO1 (0.47) KDM4ETDP1MAPTGAAMEN1
SCHEMBL6503039 0.81 ALDH1A1 (0.51) FFAR1FFAR2FFAR4MAPTMEN1
SCHEMBL12635847 0.79 MEN1 (0.44) SLC6A4PTGER1KDM4ETDP1MAPT
SCHEMBL668193 0.79 IDO1 (0.57) ALDH1A1KMT2APTPN1IDO1
SCHEMBL6494547 0.74 PPARA (0.74) PPARDPPARA
SCHEMBL3417024 0.74 PPARA (0.50) PTGER1FFAR1FFAR2FFAR4PPARD
SCHEMBL492736 0.73 IDO1 (0.68) ALDH1A1KMT2APTPN1IDO1
SCHEMBL6497980 0.73 PPARA (0.54) PPARDPPARA
SCHEMBL6557118 0.72 KDM4E (0.55) KDM4ETDP1MAPTGAAMEN1

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