SCHEMBL8486107

SCHEMBL8486107

CCCC[C@H](NCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
ASAH1 Q13510 1/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CDC25A P30304 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
SCHEMBL8490395 0.84 FNTA (0.47) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL8489260 0.81 HDAC7 (0.47) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL8490162 0.80 ALDH1A1 (0.51) SMN1; SMN2
SCHEMBL6789997 0.80 KMT2A (0.56) HPGD
SCHEMBL8489619 0.78 CA12 (0.47) HDAC1HDAC7MMP2MMP9HPGD
SCHEMBL8489201 0.78 MMP2 (0.43) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL14417310 0.77 HDAC7 (0.53) HDAC1HDAC7MMP2MMP9HPGD
SCHEMBL2909670 0.76 CYP3A4 (0.51) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL14330331 0.76 HDAC1 (0.53) HDAC1HDAC7HPGDSMN1; SMN2HDAC8
SCHEMBL3186901 0.76 KMT2A (0.48) HDAC1HDAC7SMN1; SMN2

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-1999041242-A1 DI-SUBSTITUTED NAPHTHYL DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-08-19 WO disclosed