SCHEMBL8745206

SCHEMBL8745206

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8745224 0.89 NFE2L2 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8745250 0.84 NFE2L2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8745169 0.84 NFE2L2 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8745288 0.83 TRPA1 (0.32)
SCHEMBL8745308 0.82 AR (0.32)
SCHEMBL8745245 0.82 SLC6A4 (0.35)
SCHEMBL8745240 0.81 EPHX2 (0.35)
SCHEMBL8745628 0.79 NFE2L2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8745643 0.79 TRPA1 (0.34)
SCHEMBL8745214 0.78 TLR4 (0.32)

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