SCHEMBL9340692

SCHEMBL9340692

O=C(O)C1CCC(=O)N1c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PHGDH O43175 1/20 0.41
OPRM1 P35372 5/20 0.40
KIF11 P52732 2/20 0.39
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MCL1 Q07820 1/20 0.38
ME1 P48163 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL9107918 0.85 P2RX7 (0.54) KDM4EL3MBTL1P2RX7ALDH1A1
SCHEMBL9107908 0.85 P2RX7 (0.54) KDM4EL3MBTL1P2RX7ALDH1A1
SCHEMBL630463 0.84 P2RX7 (0.51) MEN1KMT2AP2RX7PHGDH
SCHEMBL289664 0.84 P2RX7 (0.51) MEN1KMT2AP2RX7PHGDH
SCHEMBL289579 0.84 P2RX7 (0.51) MEN1KMT2AP2RX7PHGDH
SCHEMBL9107234 0.84 P2RX7 (0.51) POLBMEN1KMT2AL3MBTL1P2RX7
SCHEMBL13285257 0.84 P2RX7 (0.42) KDM4EMEN1KMT2AL3MBTL1P2RX7
SCHEMBL9107221 0.84 P2RX7 (0.51) POLBMEN1KMT2AL3MBTL1P2RX7
SCHEMBL9341749 0.83 KDM4E (0.41) KDM4EPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL13284935 0.81 ESR1 (0.46) KMT2AP2RX7PHGDHESR1

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-5362879-A 4-5-diphenyloxazole derivatives as inhibitors of blood platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-08 US disclosed