SCHEMBL9501862

SCHEMBL9501862

C/C(=C\CC(C)C)C(=O)O.CCC/C=C(\C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.40
GRIK2 Q13002 1/20 0.40
CD81 P60033 2/20 0.34
EP300 Q09472 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
KDM1A O60341 1/20 0.30
TBXAS1 P24557 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL9501866 1.00 GRIK1 (0.40) GRIK1GRIK2CD81EP300ALDH1A1
SCHEMBL8347804 0.89 EP300 (0.43) GRIK1CD81EP300KDM1ATBXAS1
SCHEMBL8347810 0.89 EP300 (0.43) GRIK1CD81EP300KDM1ATBXAS1
SCHEMBL23250 0.88 GRIK1 (0.47) GRIK1GRIK2CD81ALDH1A1KDM1A
SCHEMBL23252 0.88 GRIK1 (0.47) GRIK1GRIK2CD81ALDH1A1KDM1A
SCHEMBL8415665 0.86 EP300 (0.53) EP300CYP1A2PPARGFNTAFNTB
SCHEMBL8415667 0.86 EP300 (0.53) EP300CYP1A2PPARGFNTAFNTB
Ammonia Solution, Strong SCHEMBL27781946 0.86 GRIK1 (0.46) GRIK1GRIK2CD81ALDH1A1KDM1A
Hydrochloric Acid SCHEMBL38657492 0.86 GRIK1 (0.46) GRIK1GRIK2CD81ALDH1A1KDM1A
SCHEMBL8617091 0.86 GRIK1 (0.46) GRIK1GRIK2CD81ALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237985-B1 IMPROVED SOLVENT DEVELOPABLE PHOTORESIST COMPOSITION AND PROCESS OF USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-09 EP claimed