SCHEMBL28745080

SCHEMBL28745080

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 6/20 0.58
▸ NPC1 O15118 2/20 0.55
▸ GAA P10253 1/20 0.54
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ FAAH O00519 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ CAPN1 P07384 1/20 0.48
▸ PPIA P62937 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL7695955 0.82 SGMS2 (0.60) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL27560784 0.82 SGMS2 (0.60) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL7723439 0.80 SGMS2 (0.58) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL15947721 0.79 SGMS2 (0.56) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL6748166 0.76 SGMS2 (0.72) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL974381 0.76 SGMS2 (0.72) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL7725875 0.76 SGMS2 (0.56) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL10543824 0.76 PPIA (0.55) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL7172190 0.75 CTRB1 (0.54) LMNAALDH1A1
SCHEMBL7298020 0.75 CTRB1 (0.54) LMNAALDH1A1

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
CN-1315962-A Novel method for synthesizing Exochelins KEYSTONE BIOMEDICAL INC (US) 2001-10-03 — — CN disclosed
Send feedback