SCHEMBL7766728

SCHEMBL7766728

CCc1c(C(=O)F)c(CC)c(C(=O)O)c(C(=O)NO)c1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 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
SCHEMBL8573447 0.76 ALDH1A1 (0.39)
SCHEMBL29637876 0.73 MPO (0.38) HDAC8
SCHEMBL29637877 0.71 FABP3 (0.38) HDAC8
SCHEMBL29614893 0.71 ALDH1A1 (0.36)
SCHEMBL6014064 0.71 ALDH1A1 (0.36)
SCHEMBL1009054 0.71 ALDH1A1 (0.39)
SCHEMBL29150788 0.69 ALDH1A1 (0.37)
SCHEMBL14989322 0.67 ALDH1A1 (0.36)
SCHEMBL11794173 0.66 HDAC6 (0.43) HDAC8
SCHEMBL573494 0.63 PRNP (0.36)

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
WO-2001092273-A2 BENZENEDICARBOXYLIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed