SCHEMBL7934909

SCHEMBL7934909

COc1ccc(C(C)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
LPAR5 Q9H1C0 4/20 0.38
TTR P02766 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.36
LTA4H P09960 1/20 0.35
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 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
SCHEMBL7929135 0.90 MAPT (0.41) LPAR1LPAR5L3MBTL1TACR1LTA4H
SCHEMBL9558435 0.89 TTR (0.40) LPAR1LPAR5TTRL3MBTL1RAB9A
SCHEMBL9560804 0.86 TTR (0.39) LPAR1LPAR5TTRL3MBTL1RAB9A
SCHEMBL9560878 0.86 LMNA (0.41) LPAR1LPAR5TTRL3MBTL1RAB9A
SCHEMBL10758162 0.84 LPAR1 (0.37) LPAR1LPAR5TTRL3MBTL1RAB9A
SCHEMBL10837117 0.83 NPC1 (0.38) LPAR1LPAR5TTRRAB9ATACR1
SCHEMBL7930444 0.83 LPAR1 (0.40) LPAR1LPAR5TTRL3MBTL1RAB9A
SCHEMBL10836849 0.83 TTR (0.36) TTRL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL10346793 0.82 LPAR1 (0.44) LPAR1LPAR5TTRALDH1A1KDM4E
SCHEMBL9558410 0.81 TACR1 (0.44) LPAR1LPAR5TTRTACR1LTA4H

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