SCHEMBL10853065

SCHEMBL10853065

Cc1cc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 2/20 0.41
CETP P11597 3/20 0.40
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 1/20 0.38
MAPK14 Q16539 1/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL10852698 0.93 MRGPRX4 (0.40) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL9558998 0.93 NPC1 (0.38) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL9558197 0.90 FFAR1 (0.42) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL10851059 0.90 NPC1 (0.40) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL9559026 0.89 PPARG (0.37) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL9559076 0.89 MEN1 (0.40) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL10856771 0.87 NPC1 (0.42) FFAR1FFAR4CETPNPC1POLB
SCHEMBL9558312 0.87 CETP (0.37) FFAR1FFAR4CETPPPARGPPARD
SCHEMBL10859391 0.87 NPC1 (0.49) FFAR1FFAR4CETPNPC1POLB
SCHEMBL10852488 0.86 FFAR1 (0.40) FFAR1FFAR4CETPPPARGPPARD

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-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed