SCHEMBL18584331

SCHEMBL18584331

COC(=O)c1ccc2c(c1)NCC(C(=O)OC)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NISCH Q9Y2I1 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 3/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL18584333 0.90 HPGD (0.46) ALOX5HPGDKMT2ACYP1A2CYP3A4
SCHEMBL24378128 0.90 ALOX5 (0.47) ALOX5HPGDKMT2ACYP1A2CYP3A4
SCHEMBL18581139 0.89 ALOX5 (0.43) ALOX5HPGDKMT2ACYP1A2CYP3A4
SCHEMBL24378127 0.89 HSD17B10 (0.47) ALOX5HPGDKMT2ACYP1A2CYP3A4
SCHEMBL31751225 0.84 ALOX5 (0.49) ALOX5HPGDKMT2ACYP1A2CYP3A4
SCHEMBL24378020 0.83 KMT2A (0.47) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL34474927 0.83 ALOX5 (0.48) ALOX5HPGDKMT2ACYP1A2CYP3A4
SCHEMBL13285093 0.83 KMT2A (0.47) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL18117568 0.82 HPGD (0.46) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3932289 0.81 ALOX5 (0.46) ALOX5HPGDKMT2ACYP1A2CYP3A4

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-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed