SCHEMBL10598700

SCHEMBL10598700

CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.56
▸ FNTB P49356 2/20 0.56
▸ MME P08473 3/20 0.51
▸ ACE P12821 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ NPEPPS P55786 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MMP2 P08253 1/20 0.49
▸ PGGT1B P53609 1/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL29576224 0.91 MME (0.60) MMEACEALDH1A1HPGDMAPK1
SCHEMBL29978466 0.90 MME (0.59) MMEACEALDH1A1HPGDMAPK1
SCHEMBL31487875 0.88 BACE1 (0.56) —
SCHEMBL10596196 0.87 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL16792161 0.86 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL30838791 0.85 FNTA (0.58) FNTAFNTBMMEMMP2PGGT1B
SCHEMBL30123108 0.84 OPRD1 (0.54) ACEOPRD1OPRM1OPRK1
SCHEMBL30974021 0.84 BACE1 (0.53) OPRD1
SCHEMBL32670512 0.84 BACE1 (0.54) —
SCHEMBL30051975 0.84 ACE (0.54) MMEACEALDH1A1HPGDMAPK1

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
EP-0326419-A2 Vaccines for the protection of animals against hypodermosis THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF AGRICULTURE (US) 1989-08-02 — — EP claimed
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