SCHEMBL10851920

SCHEMBL10851920

CCOCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LTA4H P09960 2/20 0.43
CETP P11597 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38

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
Etofenprox SCHEMBL20511478 0.93 LTA4H (0.50) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL29497314 0.93 LTA4H (0.53) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL421768 0.93 LTA4H (0.53) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL27691 0.93 LTA4H (0.53) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL22325441 0.92 LTA4H (0.51) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL10855613 0.91 FFAR1 (0.43) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL10853408 0.91 FFAR1 (0.44) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL10851692 0.90 LTA4H (0.47) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL10859391 0.90 NPC1 (0.49) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL10858495 0.90 FFAR1 (0.43) FFAR1NPC1POLBCYP2C9RAB9A

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