SCHEMBL10550512

SCHEMBL10550512

CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)CI)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 1/20 0.39
CETP P11597 5/20 0.39
MAPK14 Q16539 1/20 0.38
PPARG P37231 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARA Q07869 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
SCHEMBL10545123 0.90 FDFT1 (0.43) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10546705 0.89 FDFT1 (0.40) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL4926133 0.89 FDFT1 (0.43) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL9557901 0.89 MAPK14 (0.48) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10548261 0.87 FDFT1 (0.48) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10544259 0.87 FDFT1 (0.41) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL9558455 0.87 FDFT1 (0.41) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10546675 0.87 FDFT1 (0.43) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10544623 0.86 CETP (0.46) FDFT1CETP
SCHEMBL10547586 0.85 PPARG (0.35) PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822829-A Radiation-curable macromers based on (meth)acrylate-functional polyesters, and their use HUELS TROISDORF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
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