SCHEMBL10522692

SCHEMBL10522692

O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1C(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
SRD5A2 P31213 6/20 0.61
AKR1C3 P42330 1/20 0.56
KDM4E B2RXH2 1/20 0.54
BCL2 P10415 3/20 0.54
MCL1 Q07820 3/20 0.54
PARP10 Q53GL7 2/20 0.53
TNKS O95271 1/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL10537061 0.87 SRD5A2 (0.71) POLBSRD5A2AKR1C3BCL2MCL1
SCHEMBL337469 0.85 HPGD (0.71) POLBSRD5A2AKR1C3KDM4EBCL2
SCHEMBL5963366 0.85 POLB (1.00) POLBSRD5A2AKR1C3KDM4EMCL1
SCHEMBL27874063 0.83 POLB (0.60) POLBSRD5A2AKR1C3BCL2MCL1
SCHEMBL234249 0.83 SRD5A2 (0.84) POLBSRD5A2AKR1C3PARP10ALDH1A1
SCHEMBL26759067 0.83 SRD5A2 (0.84) POLBSRD5A2AKR1C3PARP10ALDH1A1
SCHEMBL1069817 0.83 SRD5A2 (0.84) POLBSRD5A2AKR1C3PARP10ALDH1A1
SCHEMBL22415445 0.83 SRD5A2 (0.84) POLBSRD5A2AKR1C3PARP10ALDH1A1
SCHEMBL2868057 0.82 SRD5A2 (0.70) POLBSRD5A2AKR1C3PARP10TNKS
SCHEMBL30643036 0.82 SRD5A2 (0.70) POLBSRD5A2AKR1C3PARP10TNKS

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-4870153-A MELT PROCESSABILITY, MOLDING MATERIALS AMOCO CORPORATION (US) 1989-09-26 US disclosed