SCHEMBL8745224

SCHEMBL8745224

CCC1CCC(C2CCC(CCC=Cc3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.39
TRPA1 O75762 1/20 0.35
PABPC1 P11940 1/20 0.32
RAB9A P51151 1/20 0.32
EIF4H Q15056 1/20 0.32
CCR2 P41597 1/20 0.31
PTGS2 P35354 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8745250 0.96 NFE2L2 (0.41) NFE2L2TRPA1PABPC1RAB9AEIF4H
SCHEMBL8745169 0.92 NFE2L2 (0.39) NFE2L2TRPA1PABPC1RAB9AEIF4H
SCHEMBL8745176 0.89 NFE2L2 (0.36) NFE2L2TRPA1PABPC1RAB9AEIF4H
SCHEMBL8745206 0.89 KDM1A (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8745628 0.88 NFE2L2 (0.41) NFE2L2TRPA1PABPC1RAB9AEIF4H
SCHEMBL8745288 0.86 TRPA1 (0.32) TRPA1
SCHEMBL8745308 0.86 AR (0.32)
SCHEMBL8745245 0.85 SLC6A4 (0.35) NFE2L2TRPA1
SCHEMBL8745240 0.85 EPHX2 (0.35)
SCHEMBL8745260 0.84 NFE2L2 (0.39) NFE2L2TRPA1PABPC1RAB9AEIF4H

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
EP-0563981-B1 Cis-1,4-substituted 2-butene derivative CHISSO CORP (JP) 1997-01-22 EP disclosed
US-5401434-A Cis-1,4-substituted 2-butene derivative CHISSO CORPORATION (JP) 1995-03-28 US disclosed
EP-0563981-A2 Cis-1,4-substituted 2-butene derivative Chisso Corporation (JP) 1993-10-06 EP disclosed