SCHEMBL6494414

SCHEMBL6494414

CCCCOC(=O)NCc1cc(CC2SC(=O)NC2=O)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 7/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PTPN1 P18031 1/20 0.41
CYP3A4 P08684 2/20 0.41
RXRA P19793 1/20 0.41
MAOA P21397 2/20 0.40
CISD1 Q9NZ45 2/20 0.40
MAPT P10636 2/20 0.40
FAAH O00519 3/20 0.40
MPC2 O95563 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2C9 P11712 2/20 0.40
CA2 P00918 1/20 0.40
PPARA Q07869 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6502661 0.70 RAB9A (0.43) ALDH1A1FAAHCYP1A2HPGD
SCHEMBL9432793 0.70 PPARG (0.63) FFAR1ALDH1A1PPARGHRH3CYP3A4
SCHEMBL13846740 0.70 PPARG (0.63) FFAR1ALDH1A1PPARGHRH3CYP3A4
Hydrochloric Acid SCHEMBL27536220 0.70 PTPN1 (0.54) FFAR1ALDH1A1NPSR1PPARGPTPN1
SCHEMBL6494417 0.70 ALDH1A1 (0.41) FFAR1ALDH1A1NPSR1PPARGPTPN1
SCHEMBL20041608 0.69 SMN1; SMN2 (0.50) CYP3A4FAAHCYP2C9CYP1A2HPGD
SCHEMBL13387445 0.69 FAAH (0.58) FAAHTSHR
SCHEMBL14188614 0.69 PPARG (0.67) FFAR1ALDH1A1PPARGHRH3CYP3A4
SCHEMBL17773305 0.68 SMN1; SMN2 (0.59) ALDH1A1NPSR1FAAHCYP2C9CYP1A2
SCHEMBL7467226 0.68 MAPT (0.55) FFAR1ALDH1A1NPSR1PPARGPTPN1

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