SCHEMBL10547992

SCHEMBL10547992

CC(C)(C)c1ccc(C(C)(C)CCCc2cccc(Oc3ccc(F)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 8/20 0.51
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
FAAH O00519 1/20 0.39
CACNA1B Q00975 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MPO P05164 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL9558443 0.96 FDFT1 (0.48) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL10547084 0.93 FDFT1 (0.45) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL9558486 0.92 FDFT1 (0.45) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL10551740 0.92 FDFT1 (0.45) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL10549878 0.91 FDFT1 (0.47) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL10547339 0.91 FDFT1 (0.44) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL9558745 0.91 FDFT1 (0.44) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL10547429 0.90 FDFT1 (0.52) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL9558339 0.90 FDFT1 (0.43) FDFT1NPC1RAB9APOLBCYP2C9
SCHEMBL9558315 0.90 FDFT1 (0.43) FDFT1NPC1RAB9APOLBCYP2C9

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-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed