SCHEMBL3487775

SCHEMBL3487775

CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CNc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.45
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
FPR2 P25090 1/20 0.38
ADAMTS4 O75173 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL15156774 1.00 MME (0.45) MMEOPRM1OPRD1FPR2ADAMTS4
SCHEMBL3488160 1.00 MME (0.45) MMEOPRM1OPRD1FPR2ADAMTS4
SCHEMBL15156784 1.00 MME (0.45) MMEOPRM1OPRD1FPR2ADAMTS4
SCHEMBL4075374 0.90 MME (0.53) MMEGAALMNAHPGDSMN1; SMN2
SCHEMBL3486795 0.90 MME (0.53) MMEGAALMNAHPGDSMN1; SMN2
SCHEMBL3486805 0.90 MME (0.53) MMEGAALMNAHPGDSMN1; SMN2
SCHEMBL3486738 0.83 MME (0.47) MMEHPGDALDH1A1ACECPA1
SCHEMBL3486210 0.81 MME (0.49) MMEGAALMNAHPGDSMN1; SMN2
SCHEMBL15387515 0.75 MME (0.55) MMEHPGDALDH1A1POLB
SCHEMBL9633609 0.75 MME (0.55) MMEHPGDALDH1A1POLB

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-2809777-B1 MBTH-LIKE PROTEINS IN THE PRODUCTION OF SEMI SYNTHETIC ANTIBIOTICS CENTRIENT PHARMACEUTICALS NETHERLANDS B V (NL) 2019-05-29 EP disclosed
EP-2809777-A1 MBTH-LIKE PROTEINS IN THE PRODUCTION OF SEMI SYNTHETIC ANTIBIOTICS DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2014-12-10 EP disclosed
EP-2084270-B1 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM SINOCHEM PHARM NL BV (NL) 2013-11-20 EP disclosed
WO-2013113646-A1 MBTH-LIKE PROTEINS IN THE PRODUCTION OF SEMI SYNTHETIC ANTIBIOTICS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-08-08 WO disclosed
US-8293511-B2 Production of β-Lactam antibiotics DSM IP ASSETS B.V. (NL) 2012-10-23 US disclosed
US-20100009404-A1 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2010-01-14 US disclosed
EP-2084270-A2 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSMIP Assets B.V. (NL) 2009-08-05 EP disclosed
WO-2008040731-A2 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM IP ASSETS B.V. (NL) 2008-04-10 WO disclosed