SCHEMBL20121331

SCHEMBL20121331

Cc1ccc(-c2ccc(C)cc2OC(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
S1PR1 P21453 5/20 0.44
RORC P51449 2/20 0.38
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
HSD11B1 P28845 1/20 0.35
SCN9A Q15858 2/20 0.34
PDK2 Q15119 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL20122641 0.92 GPR3 (0.51) GPR3S1PR1ACHEHSD11B1SCN9A
SCHEMBL15801321 0.89 GPR3 (0.41) GPR3S1PR1RORCACHEGAA
SCHEMBL18333517 0.85 ACHE (0.50) GPR3ACHEMAPT
SCHEMBL15037483 0.81 GPR3 (0.46) GPR3S1PR1ACHEFFAR4SCN9A
SCHEMBL10801181 0.80 GPR3 (0.43) GPR3S1PR1ACHEMAPTFFAR4
SCHEMBL8737272 0.80 GPR3 (0.43) GPR3S1PR1ACHEGAAFFAR4
SCHEMBL14550044 0.79 ALDH1A1 (0.41) GPR3S1PR1RORCGAAMAPT
SCHEMBL4636986 0.79 SCN9A (0.47) GPR3S1PR1FFAR4HSD11B1SCN9A
SCHEMBL18328939 0.78 GPR3 (0.41) GPR3S1PR1RORCFFAR4SCN9A
SCHEMBL13523564 0.78 ACHE (0.48) GPR3ACHEMAPTHSD11B1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963548-B1 Solvent resistant, aromatic polyamide films for transparent flexible substrates AKRON POLYMER SYSTEMS, INC. (US) 2018-05-08 US disclosed