SCHEMBL12834669

SCHEMBL12834669

Oc1ccc(C2CC2)c(F)c1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 4/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ NOTUM Q6P988 1/20 0.31
▸ WDR5 P61964 1/20 0.30
▸ STS P08842 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ ADRA1B P35368 1/20 0.30

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
SCHEMBL12223404 0.78 FEN1 (0.36) FEN1ALOX5APNOTUMWDR5STS
SCHEMBL19466332 0.75 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL24203140 0.73 FEN1 (0.33) FEN1ALOX5APNOTUMWDR5STS
SCHEMBL25981340 0.72 NOTUM (0.40) FEN1ALOX5APNOTUMADRA2AADRA2B
SCHEMBL11939197 0.72 FEN1 (0.39) FEN1ALOX5APNOTUMWDR5STS
SCHEMBL28204231 0.71 NUDT1 (0.41) FEN1ALOX5AP
SCHEMBL12662767 0.70 ESR2 (0.44) FEN1ALOX5APNOTUMWDR5STS
SCHEMBL29234124 0.70 FEN1 (0.32) FEN1ALOX5APNOTUMWDR5
SCHEMBL24753238 0.70 RPS6KA3 (0.41) FEN1ALOX5APSTSCYP19A1
SCHEMBL15725306 0.70 ESR2 (0.44) FEN1ALOX5APNOTUMWDR5STS

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
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 — — EP disclosed
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