SCHEMBL7063689

SCHEMBL7063689

CCCCCC(O)(C(=O)O)C(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.52
ACLY P53396 1/20 0.52
HSPD1 P10809 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
FDPS P14324 7/20 0.38
GGPS1 O95749 4/20 0.38
MAPT P10636 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
SCHEMBL30236384 0.98 HSPD1 (0.50) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL8990173 0.98 HSPD1 (0.50) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1354984 0.98 HSPD1 (0.50) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL7773503 0.98 HSPD1 (0.50) CPT2ACLYHSPD1BLMHSPE1
Hydrochloric Acid SCHEMBL28182927 0.96 CPT2 (0.48) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2979037 0.94 CPT2 (0.53) CPT2ACLYHSPD1BLMHSPE1
Glycerin SCHEMBL28861479 0.93 CPT2 (0.46) CPT2ACLYHSPD1BLMHSPE1
Phosphoric Acid SCHEMBL28919711 0.92 FDPS (0.47) CPT2ACLYHSPD1BLMHSPE1
O-Xylene SCHEMBL29004500 0.86 GAA (0.42) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL28219381 0.86 ACLY (0.57) CPT2ACLYHSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311265-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT INC (US) 2004-12-29 EP disclosed
US-6743812-B1 2,3-DIACYLTARTARIC ACID SALTS OF E-METANICOTINE; NERVOUS SYSTEM DISORDERS; AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES TARGACEPT, INC. 2004-06-01 US disclosed
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP disclosed
US-6432954-B1 CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-13 US disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO disclosed