SCHEMBL4075374

SCHEMBL4075374

CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CNc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.53
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MBTPS1 Q14703 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CTSD P07339 2/20 0.39
PKM P14618 1/20 0.39
CTSB P07858 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 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
SCHEMBL3486795 1.00 MME (0.53) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL3486805 1.00 MME (0.53) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL15156784 0.90 MME (0.45) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL3487775 0.90 MME (0.45) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL3488160 0.90 MME (0.45) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL15156774 0.90 MME (0.45) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL3486210 0.86 MME (0.49) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL13358896 0.82 FNTA (0.51) MMELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL13358894 0.82 FNTA (0.51) MMELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL9633609 0.82 MME (0.55) MMEHPGDALDH1A1POLBCTSB

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-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
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
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