SCHEMBL10420541

SCHEMBL10420541

O=C(O)C(CCCCCc1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.49
▸ PPARA Q07869 3/20 0.49
▸ GGT1 P19440 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48
▸ PLAAT3 P53816 2/20 0.48
▸ PLAAT5 Q96KN8 2/20 0.48
▸ PLAAT2 Q9NWW9 2/20 0.48
▸ PLAAT4 Q9UL19 2/20 0.48
▸ TLR2 O60603 1/20 0.47
▸ CNR1 P21554 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL11361690 0.89 PPARG (0.52) PPARGPPARAGGT1PLAAT3PLAAT5
SCHEMBL31661910 0.84 TLR2 (0.55) PPARGPPARAFOLH1TLR2ALDH1A1
SCHEMBL10419542 0.83 PPARA (0.47) PPARGPPARAGGT1FOLH1PLAAT3
SCHEMBL12292601 0.82 FOLH1 (0.51) PPARGPPARAFOLH1TLR2ALDH1A1
SCHEMBL10419412 0.81 ALB (0.56) PPARGPPARAFOLH1HDAC1
SCHEMBL10419471 0.81 MMP8 (0.54) PPARGPPARAPLAAT3PLAAT5PLAAT2
SCHEMBL11342559 0.80 ADAMTS5 (0.56) PPARGPPARAALDH1A1LMNA
SCHEMBL11344065 0.80 ADAMTS5 (0.56) PPARGPPARAALDH1A1LMNA
SCHEMBL894883 0.80 FOLH1 (0.49) GGT1FOLH1ALDH1A1LMNAMEN1
SCHEMBL10482542 0.80 MME (0.56) GGT1ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 — — US disclosed
Send feedback