SCHEMBL4358622

SCHEMBL4358622

CC(=O)OC1C2CCCC1CCC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
CYP2D6 P10635 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
APOBEC3A P31941 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CHRM2 P08172 5/20 0.41
CHRM1 P11229 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM3 P20309 2/20 0.41
TSHR P16473 2/20 0.32
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.31
OGA O60502 1/20 0.31

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
SCHEMBL4366002 0.90 ALDH1A1 (0.49) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL20169575 0.86 MEN1 (0.47) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL21642935 0.84 ALDH1A1 (0.49) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL6778022 0.83 CYP2D6 (0.46) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL6778018 0.83 CYP2D6 (0.46) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL11941046 0.78 CYP2D6 (0.41) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL11122133 0.76 CHRM2 (0.43) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL23493984 0.76 ALDH1A1 (0.41) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
SCHEMBL17995470 0.75 MEN1 (0.40) MEN1CYP2D6KMT2AALDH1A1APOBEC3A
Hydrochloric Acid SCHEMBL28769363 0.75 MEN1 (0.42) MEN1CYP2D6KMT2AALDH1A1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4216713-B2 2009-01-28 JP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
JP-2004536873-A 2004-12-09 JP claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed