SCHEMBL9036013

SCHEMBL9036013

O=C(O)CN1C(=O)OC[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GLS O94925 4/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 2/20 0.39
MDM2 Q00987 3/20 0.39
RIPK1 Q13546 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL1285658 0.86 GLS (0.51) GLSNPC1LMNATP53HPGD
SCHEMBL43071 0.86 GLS (0.51) GLSNPC1LMNATP53HPGD
SCHEMBL42224 0.86 GLS (0.51) GLSNPC1LMNATP53HPGD
SCHEMBL9035836 0.85 HTT (0.43) TSHRGLSLMNASMN1; SMN2RIPK1
SCHEMBL9034901 0.78 GLS (0.41) TSHRGLSHDAC1
SCHEMBL42111 0.78 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL42681 0.78 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL9036084 0.78 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL3651312 0.76 ALDH1A1 (0.41)
SCHEMBL3651317 0.76 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed
EP-0362902-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-04-11 EP disclosed
US-4870169-A Intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-26 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP disclosed