SCHEMBL9155397

SCHEMBL9155397

COC(=O)Cc1ccccc1Oc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.49
CYP3A4 P08684 1/20 0.46
TTR P02766 1/20 0.45
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RX4 Q99571 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1B P49286 1/20 0.41
SLC1A5 Q15758 1/20 0.41
EGFR P00533 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
RIPK1 Q13546 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL9150938 0.87 KDM4E (0.48) CAMK2AKDM4EALDH1A1MEN1TSHR
SCHEMBL8002569 0.87 MTNR1B (0.54) KDM4EALDH1A1P2RX4MEN1TSHR
SCHEMBL9151951 0.86 MTNR1B (0.53) KDM4EALDH1A1P2RX4MEN1TSHR
SCHEMBL837233 0.85 RIPK1 (0.51) CAMK2AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL9152712 0.85 MAOB (0.45) CYP3A4KDM4EALDH1A1P2RX4MEN1
SCHEMBL9420375 0.84 CAMK2A (0.68) CAMK2ACYP3A4THRATHRBCXCL8
SCHEMBL9151211 0.84 MEN1 (0.45) TTRKDM4EALDH1A1MEN1TSHR
SCHEMBL9147925 0.83 HSP90AB1 (0.44) CAMK2ATTRKDM4EALDH1A1HSD17B10
SCHEMBL9152628 0.83 GAA (0.46) MEN1KMT2AMTNR1BSLC1A5GAA
SCHEMBL9152338 0.83 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468857-A Phenylmethoxypropenoic esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-21 US disclosed
EP-0307103-B1 Fungicides ZENECA LTD (GB) 1994-09-21 EP disclosed
US-5334748-A A methyl 2-aryl heterofunctional phenoxyphenyl-3-methoxy-propenoate compound; treating the plant diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
EP-0307103-A2 Fungicides ZENECA LIMITED (GB) 1989-03-15 EP disclosed