SCHEMBL6678006

SCHEMBL6678006

CCCCC1CNCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.40
S1PR3 Q99500 2/20 0.38
POLB P06746 1/20 0.38
ARG1 P05089 2/20 0.35
GLB1 P16278 1/20 0.35
SLC1A2 P43004 1/20 0.33

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
SCHEMBL6678013 1.00 ALDH1A1 (0.44) ALDH1A1USP2GAAALOX5S1PR3
SCHEMBL6677614 1.00 ALDH1A1 (0.44) ALDH1A1USP2GAAALOX5S1PR3
SCHEMBL3022670 0.95 ALOX5 (0.46) ALDH1A1USP2GAAALOX5S1PR3
SCHEMBL24303381 0.93 ALOX5 (0.49) ALDH1A1USP2GAAALOX5S1PR3
SCHEMBL6673877 0.89 ALDH1A1 (0.35) ALDH1A1USP2GAAS1PR3POLB
SCHEMBL6673873 0.89 ALDH1A1 (0.35) ALDH1A1USP2GAAS1PR3POLB
SCHEMBL6673263 0.89 ALDH1A1 (0.35) ALDH1A1USP2GAAS1PR3POLB
SCHEMBL17506585 0.81 ARG1 (0.35) ARG1
SCHEMBL17506568 0.81 ARG1 (0.35) ARG1
SCHEMBL21366932 0.81 ARG1 (0.46) ARG1

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-1112253-B1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER LAMBERT CO (US) 2004-10-20 EP claimed
EP-1112253-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
US-6245801-B1 ANTIEPILEPIC AGENTS; BRAIN DISORDERS; PSYCHOLOGICLA DISORDERS WARNER-LAMBERT COMPANY 2001-06-12 US claimed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed
EP-1112253-B1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER LAMBERT CO (US) 2004-10-20 EP disclosed
EP-1112253-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
US-6245801-B1 ANTIEPILEPIC AGENTS; BRAIN DISORDERS; PSYCHOLOGICLA DISORDERS WARNER-LAMBERT COMPANY 2001-06-12 US disclosed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed