SCHEMBL7725875

SCHEMBL7725875

CC(C)OC(=O)[C@H](CO)NC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 6/20 0.56
▸ GAA P10253 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ICMT O60725 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KIFC1 Q9BW19 1/20 0.48
▸ FAAH O00519 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46

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
SCHEMBL15947721 0.89 SGMS2 (0.56) SGMS2GAACTSKNPC1MEN1
SCHEMBL7723439 0.88 SGMS2 (0.58) SGMS2GAACTSKNPC1MEN1
SCHEMBL7695955 0.85 SGMS2 (0.60) SGMS2GAACTSKNPC1MEN1
SCHEMBL27560784 0.85 SGMS2 (0.60) SGMS2GAACTSKNPC1MEN1
SCHEMBL2135651 0.77 KDM4E (0.61) SGMS2GAANPC1MEN1KMT2A
SCHEMBL10839367 0.76 KIFC1 (0.52) SGMS2GAANPC1MEN1KMT2A
SCHEMBL7956086 0.76 SGMS2 (0.55) SGMS2GAACTSKNPC1MEN1
SCHEMBL7956090 0.76 SGMS2 (0.55) SGMS2GAACTSKNPC1MEN1
SCHEMBL7723403 0.76 SGMS2 (0.55) SGMS2GAACTSKNPC1MEN1
SCHEMBL10839375 0.76 KIFC1 (0.52) SGMS2GAANPC1MEN1KMT2A

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-6403623-B1 ADMINISTERING 2-(2-SUBSTITUTED-PHENYL)-2-OXAZOLINES AND RELATED 5-MEMBERED HETEROCYCLES UNUVERSITY OF NOTRE DAME DU LAC 2002-06-11 — — US disclosed
US-6310058-B1 N-HYDROXYAZEPIN-2-ONES SUBSTITUTED AT 3 POSITION WITH A GROUP CONTAINING A 2-PHENYLOXAZOLE OR 2-PHENYLOXAZOLINE GROUP FOR TREATING TUBERCULOSIS UNIVERSITY OF NOTRE DAME DU LAC 2001-10-30 — — US disclosed
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