SCHEMBL7423155

SCHEMBL7423155

CCC=CC(N)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.39
GRIK2 Q13002 3/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP19A1 P11511 2/20 0.36
RXRA P19793 2/20 0.36
PPARG P37231 2/20 0.36
OXER1 Q8TDS5 2/20 0.36
FFAR1 O14842 1/20 0.36
KMT2A Q03164 2/20 0.34
F7 P08709 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
F3 P13726 1/20 0.34
PTGS1 P23219 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FPR2 P25090 1/20 0.34
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HDAC2 Q92769 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
SCHEMBL1226201 0.77
SCHEMBL1226199 0.77
SCHEMBL1895562 0.77
SCHEMBL9176496 0.76 ALDH1A1 (0.38) GRIK1GRIK2MAPTALDH1A1CYP19A1
SCHEMBL9654189 0.76 ALDH1A1 (0.38) GRIK1GRIK2MAPTALDH1A1CYP19A1
SCHEMBL2336525 0.76 ALDH1A1 (0.38) GRIK1GRIK2MAPTALDH1A1CYP19A1
SCHEMBL6326750 0.76 HDAC2 (0.57) MAPTALDH1A1CYP19A1RXRAPPARG
SCHEMBL2336522 0.76 ALDH1A1 (0.38) GRIK1GRIK2MAPTALDH1A1CYP19A1
SCHEMBL6326746 0.76 HDAC2 (0.57) MAPTALDH1A1CYP19A1RXRAPPARG
SCHEMBL462259 0.75 ALDH1A1 (0.34) GRIK1GRIK2MAPTALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
US-5721366-A PHENYLAMIDINE DERIVATIVES G. D. SEARLE & CO (US) 1998-02-24 US disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed