SCHEMBL9701153

SCHEMBL9701153

O=C(O)c1ccc(Oc2ccc3cc(O)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.55
PARP15 Q460N3 1/20 0.55
SRD5A2 P31213 4/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 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
SCHEMBL9781486 0.87 KDM4E (0.67) PARP10PARP15SRD5A2CA1CA2
SCHEMBL8080613 0.85 KDM4E (0.69) PARP10PARP15SRD5A2KDM4ERAB9A
SCHEMBL16561520 0.85 MEN1 (0.73) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL9702043 0.85 AKR1C3 (0.67) PARP10PARP15CA12CA1CA2
SCHEMBL633482 0.85 CA1 (0.73) PARP10PARP15SRD5A2CA12CA1
SCHEMBL23386082 0.84 ESR1 (0.62) PARP10MEN1KMT2A
SCHEMBL9619563 0.84 RAB9A (0.66) PARP10MEN1NPC1RAB9AKMT2A
SCHEMBL6405694 0.84 SRD5A2 (0.65) PARP10PARP15SRD5A2KDM4EMEN1
Terephthalic Acid SCHEMBL6052891 0.83 MEN1 (0.63) SRD5A2CA12CA1CA2CA3
SCHEMBL23386311 0.82 ESR1 (0.67) PARP10MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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