SCHEMBL10504264

SCHEMBL10504264

CC1(C)OC[C@@H]([C@H](NC(=O)OCc2ccccc2)C(N)=O)O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.45
▸ TSHR P16473 10/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CYP2C9 P11712 8/20 0.45
▸ CYP2C19 P33261 7/20 0.45
▸ CYP1A2 P05177 5/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CTRB1 P17538 2/20 0.44
▸ POLB P06746 1/20 0.42

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
SCHEMBL13691987 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL27756335 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL27756333 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL28580670 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL27756338 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL12540247 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL4658795 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL13534716 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL20263087 0.83 CYP3A4 (0.45) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL20263084 0.83 CYP3A4 (0.45) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111326-B1 PROCESS FOR THE MANUFACTURE OF CHIRAL AZETIDINONES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-01-11 — — EP claimed
EP-0111326-A1 Process for the manufacture of chiral azetidinones F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-20 — — EP claimed
EP-0111326-B1 PROCESS FOR THE MANUFACTURE OF CHIRAL AZETIDINONES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-01-11 — — EP disclosed
US-4663469-A 4-hydroxy-l-threoninamides HOFFMAN-LA ROCHE INC. (US) 1987-05-05 — — US disclosed
US-4502994-A Enantiomeric synthesis of 3-amino-4-carbamoyloxymethyl-2-azetidonone-1-sulfate HOFFMANN-LA ROCHE INC. (US) 1985-03-05 — — US disclosed
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