SCHEMBL8764538

SCHEMBL8764538

CCCCCCCCCCCCCCCC=C(CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.58
EP300 Q09472 1/20 0.56
GRIK2 Q13002 1/20 0.49
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
TOP1 P11387 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL8764536 1.00 GRIK1 (0.58) GRIK1EP300GRIK2TERTPTPN1
Fluoride SCHEMBL27740263 0.86 GRIK1 (0.55) GRIK1EP300GRIK2TERTPTPN1
SCHEMBL13013816 0.86 EP300 (0.47) GRIK1EP300TERTPTPN1PPARG
SCHEMBL11546520 0.85 GRIK1 (0.65) GRIK1EP300GRIK2CYP1A2TDP1
SCHEMBL11546522 0.85 GRIK1 (0.65) GRIK1EP300GRIK2CYP1A2TDP1
SCHEMBL27147872 0.84 EP300 (0.46) GRIK1EP300MAPTBLMHSD17B10
SCHEMBL28621418 0.81 GRIK1 (0.54) GRIK1EP300GRIK2MAPTBLM
SCHEMBL28626388 0.81 GRIK1 (0.54) GRIK1EP300GRIK2MAPTBLM
SCHEMBL28621414 0.81 GRIK1 (0.54) GRIK1EP300GRIK2MAPTBLM
SCHEMBL27636120 0.81 GRIK1 (0.54) GRIK1EP300GRIK2MAPTBLM

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
EP-0621257-B1 Doubly branched compounds and methods of making them INST FRANCAIS DU PETROLE (FR) 1997-07-30 EP disclosed
US-5434282-A Alkylation INSTITUT FRANCAIS DU PETROLE (FR) 1995-07-18 US disclosed
EP-0621257-A1 Doubly branched compounds and methods of making them INSTITUT FRANCAIS DU PETROLE (FR) 1994-10-26 EP disclosed