SCHEMBL9076449

SCHEMBL9076449

COc1ccc([C@@H]2Sc3ccc(Cl)cc3NC(=O)[C@@H]2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ESR1 P03372 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NOX1 Q9Y5S8 1/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40

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
SCHEMBL7302074 0.91 POLB (0.50) POLBTDP1KDM4EUSP2ESR1
SCHEMBL7435978 0.91 POLB (0.50) POLBTDP1KDM4EUSP2ESR1
SCHEMBL9209868 0.91 POLB (0.50) POLBTDP1KDM4EUSP2ESR1
SCHEMBL7302081 0.91 POLB (0.50) POLBTDP1KDM4EUSP2ESR1
SCHEMBL7311704 0.91 POLB (0.50) POLBTDP1KDM4EUSP2ESR1
SCHEMBL10339936 0.90 POLB (0.54) POLBTDP1KDM4EUSP2ESR1
SCHEMBL10967708 0.90 POLB (0.54) POLBTDP1KDM4EUSP2ESR1
SCHEMBL10964457 0.90 POLB (0.54) POLBTDP1KDM4EUSP2ESR1
SCHEMBL10339937 0.90 POLB (0.54) POLBTDP1KDM4EUSP2ESR1
SCHEMBL10636932 0.90 POLB (0.54) POLBTDP1KDM4EUSP2ESR1

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-5571807-A CALCIUM ANTAGONISTS, TREATMENT OF ANGINA AND HYPERTENSION ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-11-05 US disclosed