SCHEMBL19645152

SCHEMBL19645152

CCC(=O)OCc1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.45
ACHE P22303 3/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
CYP3A4 P08684 2/20 0.40
PRTN3 P24158 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12945174 0.81 MMP1 (0.57) MMP1MMP2MMP9MMP12CYP1A2
SCHEMBL24943633 0.81 ELANE (0.45) ELANEMMP1MMP2MMP9MMP12
SCHEMBL5936393 0.80 ALDH1A1 (0.50) ACHECYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL1035696 0.79 ELANE (0.53) ELANEACHECYP3A4
SCHEMBL29729966 0.78 MMP1 (0.56) MMP1MMP2MMP9MMP12
SCHEMBL1033055 0.78 ELANE (0.51) ELANEACHECYP3A4
Phosphonic Acid SCHEMBL9638832 0.78 ELANE (0.45) ELANEACHECYP3A4
SCHEMBL24944144 0.77 MAOB (0.43) ELANEPPARGPPARA
SCHEMBL13686647 0.77 MMP1 (0.56) MMP1MMP2MMP9MMP12CYP1A2
SCHEMBL18458153 0.76 ELANE (0.46) ELANEACHECYP3A4

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
US-9829792-B2 Monomer, polymer, positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-28 US disclosed