SCHEMBL16433596

SCHEMBL16433596

Cc1ccc(C(=O)c2ccc(Oc3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.62
PARP3 Q9Y6F1 1/20 0.62
ALDH1A1 P00352 4/20 0.55
CYP2A6 P11509 2/20 0.55
LMNA P02545 2/20 0.55
MMP13 P45452 2/20 0.53
KDM4E B2RXH2 1/20 0.51
SRD5A2 P31213 4/20 0.50
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11974583 1.00 PARP10 (0.62) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL16622242 1.00 PARP10 (0.62) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL12240717 0.95 PARP10 (0.57) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL12240714 0.95 PARP10 (0.57) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL12300251 0.95 PARP10 (0.57) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL12240716 0.95 PARP10 (0.57) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL13969654 0.89 ALDH1A1 (0.70) ALDH1A1CYP2A6LMNASRD5A2MAOB
SCHEMBL23975504 0.87 CYP2A6 (0.73) PARP10PARP3ALDH1A1CYP2A6LMNA
SCHEMBL822866 0.87 ALDH1A1 (0.73) PARP10ALDH1A1LMNAMMP13SRD5A2
SCHEMBL260405 0.87 CYP2A6 (0.73) PARP10PARP3ALDH1A1CYP2A6LMNA

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
US-8946341-B2 Polymer compositions comprising poly(arylether ketone)s and graphene materials SOLVAY SA (BE) 2015-02-03 US disclosed