SCHEMBL5871698

SCHEMBL5871698

O=C=C1CCCN1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1286296 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6947156 0.79 CASP1 (0.53) ALDH1A1CASP1
SCHEMBL2102326 0.78 HTR1A (0.43) ALDH1A1SMN1; SMN2
SCHEMBL9084422 0.76 CASP1 (0.36) ALDH1A1CASP1
SCHEMBL15592597 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9506098 0.74 L3MBTL1 (0.53) ALDH1A1CASP1SMN1; SMN2
Hydrochloric Acid SCHEMBL1750320 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7448545 0.74 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL28516086 0.73 L3MBTL1 (0.55) ALDH1A1CASP1SMN1; SMN2
SCHEMBL9082309 0.73 LTA4H (0.38) ALDH1A1CASP1

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
US-7141412-B2 Process for preparing optically active 3-hydroxypyrrolidine derivatives by enzymatic hydroxylation EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2006-11-28 US disclosed
EP-1131460-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 3-HYDROXY-PYRROLIDINE DERIVATIVEES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2001-09-12 EP disclosed
WO-2000029606-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE-3-HYDROXY-PYRROLIDINE DERIVATIVES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2000-05-25 WO disclosed