SCHEMBL9321602

SCHEMBL9321602

O=C1N[C@H](C(=O)O)[C@@H](c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
CYP2D6 P10635 1/20 0.44
CA2 P00918 1/20 0.43
EPHX1 P07099 1/20 0.39
EDNRA P25101 1/20 0.37
HSPA1A P0DMV8 1/20 0.36
PTPN7 P35236 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7527637 1.00 GRM5 (0.46) GRM5CYP2D6CA2EPHX1EDNRA
SCHEMBL7899177 0.86 CYP2C9 (0.43) GRM5CYP2D6HSPA1APTPN7TDP1
SCHEMBL7534121 0.85 GRM5 (0.44) GRM5CYP2D6CA2EPHX1KDM4E
SCHEMBL11546959 0.85 CYP2D6 (0.46) GRM5CYP2D6CA2EPHX1TDP1
SCHEMBL6509232 0.82 EDNRA (0.47) GRM5CYP2D6EDNRAHSPA1APTPN7
SCHEMBL8380944 0.81 EPHX1 (0.37) GRM5CYP2D6CA2EPHX1EDNRA
SCHEMBL4681142 0.81 CYP2D6 (0.59) GRM5CYP2D6TDP1POLBALDH1A1
SCHEMBL18012037 0.81 CYP2D6 (0.59) GRM5CYP2D6TDP1POLBALDH1A1
SCHEMBL11430937 0.77 ALDH1A1 (0.47) KDM4EMAPTALDH1A1
SCHEMBL9212615 0.76 KDM4E (0.41) KDM4EPOLBMAPTALDH1A1

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-5356918-A Oxazolidinone compounds and method of using the same as a vasodilator SANKYO COMPANY, LTD. (JP) 1994-10-18 US disclosed
US-5298516-A Treatment of cardiovascular disorders, angina SANKYO COMPANY, LIMITED (JP) 1994-03-29 US disclosed