SCHEMBL5871291

SCHEMBL5871291

O=C=C1C(O)CCN1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7090597 0.78 NPC1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7543136 0.75 MEN1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27628961 0.74 CYP2C19 (0.40) ALDH1A1CYP2C19
SCHEMBL7448545 0.73 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL7542970 0.73 CAPN1 (0.36) ALDH1A1
SCHEMBL7371580 0.73 MEN1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6627459 0.72 ALDH1A1 (0.43) ALDH1A1
SCHEMBL27733749 0.71 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL9181315 0.70 PREP (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7371962 0.70 DRD4 (0.34) ALDH1A1

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
US-7141412-B2 Process for preparing optically active 3-hydroxypyrrolidine derivatives by enzymatic hydroxylation EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2006-11-28 US disclosed
US-20030219883-A1 Process for preparing optically active 3-hydroxypyrrolidine derivatives by enzymatic hydroxylation LI ZHI (CH) 2003-11-27 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