SCHEMBL11069853

SCHEMBL11069853

COc1cc(CNCc2ccccc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
ATM Q13315 1/20 0.67
TRPV1 Q8NER1 1/20 0.60
PTPN7 P35236 1/20 0.59
DUSP3 P51452 1/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 2/20 0.55
NFKB1 P19838 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL5833247 0.92 TAAR1 (0.62) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL9416518 0.85 TSHR (0.58) TRPV1ALOX15KMT2ATSHRNFKB1
SCHEMBL2846746 0.85 TRPV1 (0.69) GAAATMTRPV1PTPN7DUSP3
SCHEMBL30884017 0.85 PTPN7 (0.69) TRPV1PTPN7DUSP3
SCHEMBL2849365 0.85 PTPN7 (0.69) TRPV1PTPN7DUSP3
SCHEMBL7768865 0.85 FOS (0.62) GAAALDH1A1KDM4EPOLBALOX15
SCHEMBL3042373 0.85 LMNA (0.69) ALDH1A1KDM4EPOLBMAPTHPGD
SCHEMBL23216976 0.84 KMT2A (0.57) GAAATMTRPV1ALDH1A1KDM4E
SCHEMBL11856806 0.83 TAAR1 (0.57) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL16057469 0.83 GAA (0.64) GAAATMTRPV1ALDH1A1KDM4E

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-4435565-A ENZYME INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-03-06 US disclosed
US-4359473-A α-Amino deoxy clavulanic acid antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-11-16 US disclosed