SCHEMBL6530263

SCHEMBL6530263

CCCCCC1COC(C=O)O1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
ENPP2 Q13822 10/20 0.40
LPAR2 Q9HBW0 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36

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
SCHEMBL28055861 0.98 ALDH1A1 (0.60) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL28241406 0.98 ALDH1A1 (0.60) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL27813046 0.98 ALDH1A1 (0.60) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL2215380 0.95 ALDH1A1 (0.48) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL2217198 0.87 ALDH1A1 (0.38) ALDH1A1TDP1ENPP2LPAR2SMN1; SMN2
SCHEMBL17097330 0.82 ALDH1A1 (0.34) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL28571761 0.81 EPHX1 (0.58) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL28582866 0.81 EPHX1 (0.58) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL2216626 0.79
SCHEMBL28324564 0.78 SMN1; SMN2 (0.66) ALDH1A1TDP1ENPP2LPAR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108424745-A Active energy ray polymer resin composition, bonding agent, smears, laminated body and laminated body used for optical elements 东洋油墨SC控股株式会社 2018-08-21 CN disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed