SCHEMBL9702043

SCHEMBL9702043

O=C(O)c1cccc(Oc2ccc3cc(O)ccc3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
KMO O15229 1/20 0.60
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA6 P23280 1/20 0.55
CA9 Q16790 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.51
CLK1 P49759 1/20 0.50

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
SCHEMBL1498986 0.88 AKR1C3 (0.79) AKR1C3KMOKDM4ECA12CA1
SCHEMBL1499155 0.86 AKR1C3 (0.76) AKR1C3KMOKDM4EKMT2ACA12
SCHEMBL9701153 0.85 PARP10 (0.55) AKR1C3KDM4EKMT2AMEN1CA12
SCHEMBL1042631 0.84 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1RAB9A
SCHEMBL30266789 0.84 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1RAB9A
SCHEMBL30449599 0.84 AKR1C3 (0.92) AKR1C3KMOKDM4EKMT2ACA12
SCHEMBL30307454 0.84 AKR1C3 (0.92) AKR1C3KMOKDM4EKMT2ACA12
SCHEMBL68858 0.84 AKR1C3 (0.92) AKR1C3KMOKDM4EKMT2ACA12
SCHEMBL9618429 0.84 KDM4E (0.70) AKR1C3KMOKDM4EKMT2AMEN1
SCHEMBL4320685 0.83 AKR1C3 (0.96) AKR1C3KMOKDM4ENPC1RAB9A

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-5169978-A Polyester monomer SOCIETE ATOCHEM (FR) 1992-12-08 US disclosed