SCHEMBL11110885

SCHEMBL11110885

O=C(CO)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.69
FEN1 P39748 2/20 0.69
AKR1C3 P42330 1/20 0.68
HDAC8 Q9BY41 1/20 0.60
TNKS O95271 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP14 Q460N5 1/20 0.53
PARP10 Q53GL7 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
KAT6A Q92794 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL11375341 0.87 ERCC5 (0.54) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL10455392 0.84 ERCC5 (0.67) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL5312318 0.84 ERCC5 (0.67) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL8548986 0.84 ERCC5 (0.67) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL28547033 0.83 ERCC5 (0.66) ERCC5FEN1PARP10SMN1; SMN2POLB
SCHEMBL8341053 0.83 ERCC5 (0.66) ERCC5FEN1PARP10SMN1; SMN2POLB
SCHEMBL4708458 0.83 ERCC5 (0.65) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL9166340 0.81 ERCC5 (0.63) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL11463053 0.81 ERCC5 (0.63) ERCC5FEN1AKR1C3HDAC8TNKS
SCHEMBL9671290 0.81 ERCC5 (0.63) ERCC5FEN1AKR1C3HDAC8TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed