SCHEMBL21677972

SCHEMBL21677972

CCC(F)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
TAAR1 Q96RJ0 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 1/20 0.46
TP53 P04637 1/20 0.46
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.42

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
SCHEMBL30657566 0.85 EPHX1 (0.55) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL9457240 0.79 TRPA1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL27447396 0.79 CSNK1E (0.47) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL26497007 0.78 EPHX1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1665737 0.78 EPHX1 (0.48) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL5001745 0.76 EPHX1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL4679591 0.76 EPHX1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL22660956 0.76 EPHX1 (0.46) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL2480531 0.76 TRPA1 (0.61) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL28749751 0.76 EPHX1 (0.46) TRPA1TAAR1SIGMAR1SLC6A2MAOA

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
EP-4265589-A1 METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2023-10-25 EP disclosed
WO-2020023354-A1 CATALYSTS, METHODS OF MAKING, AND METHODS OF HYDROFLUORINATION UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-01-30 WO disclosed