SCHEMBL285355

SCHEMBL285355

NC(CCC=C[C]=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
ANPEP P15144 2/20 0.31
ENPEP Q07075 2/20 0.31
LTA4H P09960 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL6371658 0.77 GABRP (0.39) ARG2S1PR2S1PR1ANPEPENPEP
SCHEMBL28990971 0.77 CYP2D6 (0.48) ARG2S1PR2S1PR1ANPEPENPEP
SCHEMBL28202300 0.77 GABRP (0.39) ARG2S1PR2S1PR1ANPEPENPEP
SCHEMBL1225888 0.74 S1PR2 (0.38) S1PR2S1PR1ANPEPENPEPLTA4H
SCHEMBL29956660 0.72 SLC6A2 (0.42) S1PR2S1PR1ANPEPENPEPLTA4H
SCHEMBL7362116 0.72 S1PR2 (0.37) S1PR2S1PR1ANPEPENPEPLTA4H
SCHEMBL29953835 0.72 SLC6A2 (0.42) S1PR2S1PR1ANPEPENPEPLTA4H
SCHEMBL3264929 0.72 SLC6A2 (0.42) S1PR2S1PR1ANPEPENPEPLTA4H
SCHEMBL6666416 0.70 ENPEP (0.46) S1PR2S1PR1ANPEPENPEP
SCHEMBL6664634 0.70 ENPEP (0.46) S1PR2S1PR1ANPEPENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012177721-A1 MICROORGANISMS FOR PRODUCING 6-AMINOCAPROIC ACID GENOMATICA, INC. (US) 2012-12-27 WO disclosed
EP-2427544-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID Genomatica, Inc. (US) 2012-03-14 EP disclosed
WO-2010129936-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID GENOMATICA, INC. (US) 2010-11-11 WO disclosed