SCHEMBL3969985

SCHEMBL3969985

COC(=O)C1CSCC(C(=O)O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 2/20 0.36
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL3970077 0.80 KMT2A (0.35) CYP1A2HIF1AKMT2ABRD4
SCHEMBL3965988 0.76 CYP1A2 (0.39) CYP1A2HIF1APPM1BPTPN1PPP1CC
SCHEMBL13882832 0.73 CYP1A2 (0.46) CYP1A2HIF1AKMT2APPM1BPTPN1
SCHEMBL189981 0.73 KMT2A (0.38) CYP1A2HIF1AKMT2ABRD4
SCHEMBL3199635 0.72 KMT2A (0.37) CYP1A2HIF1AKMT2ABRD4
SCHEMBL5521616 0.71 CYP1A2 (0.41) CYP1A2HIF1APPM1BPTPN1PPP1CC
SCHEMBL2904103 0.70 KMT2A (0.36) CYP1A2HIF1AKMT2ABRD4
SCHEMBL3974812 0.70 CYP1A2 (0.43) CYP1A2HIF1APPM1BPTPN1PPP1CC
SCHEMBL29929760 0.69 POLB (0.41) CYP1A2POLB
SCHEMBL1640413 0.69 POLB (0.41) CYP1A2POLB

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-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed