SCHEMBL7922569

SCHEMBL7922569

Fc1ccc(CCCC(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 5/20 0.40
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
ACP3 P15309 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPK14 Q16539 1/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7922565 0.86 FDFT1 (0.53) FDFT1IDO1TDO2ACP3PPARG
SCHEMBL9570748 0.83 TACR1 (0.42) IDO1TDO2ACP3PPARGPPARA
SCHEMBL9493734 0.83 CETP (0.40) FDFT1
SCHEMBL7929110 0.83 FDFT1 (0.37) FDFT1
SCHEMBL7934903 0.82 TTR (0.41) FDFT1
SCHEMBL7922572 0.81 FDFT1 (0.41) FDFT1IDO1TDO2MAPK14TP53
SCHEMBL407786 0.81 LTA4H (0.41) FDFT1PPARGPPARASIGMAR1
SCHEMBL7932383 0.81 FDFT1 (0.37) FDFT1PPARGPPARASIGMAR1
SCHEMBL9628951 0.80 MAOA (0.39) TP53
SCHEMBL9804252 0.80 FDFT1 (0.35) FDFT1PPARGPPARASIGMAR1

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-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US claimed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US claimed