SCHEMBL9809647

SCHEMBL9809647

CCCCCCCCC(c1cc(OCc2ccccc2)ccc1C(=O)O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.47
MAOB P27338 1/20 0.46
PTPN11 Q06124 1/20 0.44
PLA2G2D Q9UNK4 1/20 0.43
PSEN1 P49768 2/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL9809646 1.00 CTRC (0.47) CTRCMAOBPTPN11PLA2G2DPSEN1
SCHEMBL9224696 0.86 CTRC (0.49) CTRCMAOBPTPN11PLA2G2DLTB4R
SCHEMBL9393709 0.84 PTPN11 (0.50) CTRCPTPN11
SCHEMBL9809648 0.81 PPARA (0.43) PPARG
SCHEMBL9550240 0.81 PPARA (0.43) PPARG
SCHEMBL9809644 0.81 PPARA (0.43) PPARG
SCHEMBL9393703 0.81 PTPN11 (0.48) CTRCPTPN11
SCHEMBL9226130 0.78 MAOB (0.49) MAOBPTPN11PLA2G2D
SCHEMBL9276032 0.77 L3MBTL1 (0.44) CTRCPSEN1PTGESALOX5PPARG
SCHEMBL9129155 0.77 CTRC (0.45) CTRCMAOBPLA2G2D

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
EP-0430205-A2 Liquid cristal display device MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-06-05 EP disclosed