SCHEMBL20122641

SCHEMBL20122641

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.51
ACHE P22303 1/20 0.41
S1PR1 P21453 4/20 0.38
HSD11B1 P28845 1/20 0.38
SCN9A Q15858 3/20 0.37
PDK2 Q15119 2/20 0.37
SYK P43405 1/20 0.36
CYP17A1 P05093 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KCNN4 O15554 1/20 0.34

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
SCHEMBL20121331 0.92 GPR3 (0.46) GPR3ACHES1PR1HSD11B1SCN9A
SCHEMBL18333517 0.92 ACHE (0.50) GPR3ACHEALDH1A1L3MBTL1KCNK3
SCHEMBL15037483 0.88 GPR3 (0.46) GPR3ACHES1PR1SCN9APDK2
SCHEMBL4636986 0.85 SCN9A (0.47) GPR3S1PR1HSD11B1SCN9A
SCHEMBL18328939 0.85 GPR3 (0.41) GPR3S1PR1SCN9APDK2CYP17A1
SCHEMBL13523564 0.84 ACHE (0.48) GPR3ACHEHSD11B1SCN9ASYK
SCHEMBL24223220 0.83 GPR3 (0.54) GPR3SCN9A
SCHEMBL8737272 0.83 GPR3 (0.43) GPR3ACHES1PR1SYKALDH1A1
SCHEMBL15801321 0.81 GPR3 (0.41) GPR3ACHES1PR1SCN9APDK2
SCHEMBL10977191 0.81 GPR3 (0.42) GPR3ACHESCN9ASYKKCNN4

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
WO-2023190861-A1 VAPOR DEPOSITION MASK 日産化学株式会社 2023-10-05 WO disclosed
US-9963548-B1 Solvent resistant, aromatic polyamide films for transparent flexible substrates AKRON POLYMER SYSTEMS, INC. (US) 2018-05-08 US disclosed