SCHEMBL13569201

SCHEMBL13569201

O=C(C(=O)c1ccc(Oc2ccc(C(=O)C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc(Oc2ccc(C(=O)C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.57
CES1 P23141 4/20 0.57
PARP10 Q53GL7 2/20 0.57
MCL1 Q07820 2/20 0.55
BCL2L1 Q07817 1/20 0.55
SRD5A2 P31213 3/20 0.55
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 0.48

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
SCHEMBL14614403 1.00 CES2 (0.57) CES2CES1PARP10MCL1BCL2L1
SCHEMBL13569209 1.00 CES2 (0.57) CES2CES1PARP10MCL1BCL2L1
SCHEMBL4189871 0.89 PARP10 (0.69) CES2CES1PARP10SRD5A2SMN1; SMN2
SCHEMBL9250736 0.89 CES2 (0.71) CES2CES1PARP10SRD5A2MAPT
SCHEMBL13567254 0.89 CES2 (0.71) CES2CES1PARP10SRD5A2MAPT
SCHEMBL2134251 0.89 CES2 (0.71) CES2CES1PARP10SRD5A2MAPT
SCHEMBL12757139 0.88 SRD5A2 (0.71) PARP10MCL1BCL2L1SRD5A2MAPT
SCHEMBL9452100 0.88 SRD5A2 (0.71) PARP10MCL1BCL2L1SRD5A2MAPT
SCHEMBL11419154 0.88 SRD5A2 (0.71) PARP10MCL1BCL2L1SRD5A2PARP15
SCHEMBL9242631 0.87 CES2 (0.68) CES2CES1PARP10SRD5A2ERCC5

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-7635741-B2 Curable polyacetylenes used as dielectrics in making microelectronics such as integrated circuits DOW GLOBAL TECHNOLOGIES INC. 2009-12-22 US disclosed