SCHEMBL1532918

SCHEMBL1532918

O=C(O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.54
GABBR2 O75899 3/20 0.51
GABBR1 Q9UBS5 3/20 0.51
LMNA P02545 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD3 P35462 1/20 0.51
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
FFAR1 O14842 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
SCHEMBL657182 0.90 PRKCZ (0.48) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL8798403 0.90 PRKCZ (0.48) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL7633288 0.90 GABBR2 (0.68) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL8913116 0.88 PRKCZ (0.49) PRKCZGABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL560490 0.88 GABBR2 (0.66) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL12268167 0.87 FNTA (0.47) PRKCZLMNAFNTAFNTBFFAR1
SCHEMBL8911597 0.87 PRKCZ (0.48) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL8067305 0.85 PRKCZ (0.47) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL8067302 0.85 PRKCZ (0.47) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL7728006 0.85 FFAR1 (0.50) PRKCZTSHRFNTAFNTBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140242651-A1 ENZYMATICALLY CATALYZED METHOD OF PREPARING MONO-ACYLATED POLYOLS BASF SE (DE) 2014-08-28 US disclosed
US-8715970-B2 Enzymatically catalyzed method of preparing mono-acylated polyols BASF SE (DE) 2014-05-06 US disclosed
EP-2478094-A1 AN ENZYMATICALLY CATALYZED METHOD OF PREPARING MONO-ACYLATED POLYOLS BASF SE (DE) 2012-07-25 EP disclosed
US-20120171738-A1 ENZYMATICALLY CATALYZED METHOD OF PREPARING MONO-ACYLATED POLYOLS BASF SE (DE) 2012-07-05 US disclosed
WO-2011033039-A1 AN ENZYMATICALLY CATALYZED METHOD OF PREPARING MONO-ACYLATED POLYOLS BASF SE (DE) 2011-03-24 WO disclosed
EP-0848706-B1 SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
US-6410306-B1 PREPARING PREFERENTIAL ENANTIMORPHS; OBTAIN CHEMICAL INTERMEDIATE, INCUBATE WITH ENZYMES, RECOVER PREFERENTIAL ENANTIMORPHS SCHERING CORPORATION 2002-06-25 US disclosed
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
EP-0848706-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-06-24 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
US-5691362-A ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS SCHERING-PLOUGH CORPORATION (US) 1997-11-25 US disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039383-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
EP-0518939-A1 ANTIARRHYTHMIC AGENTS BTG INTERNATIONAL LIMITED (GB) 1992-12-23 EP disclosed
WO-1991013865-A1 ANTIARRHYTHMIC AGENTS ISIS INNOVATION LIMITED (GB) 1991-09-19 WO disclosed