SCHEMBL28203282

SCHEMBL28203282

CC(C)c1ccccc1OC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.59
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CES2 O00748 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL22020868 0.86 ELANE (0.56) ELANE
SCHEMBL19407828 0.83 ELANE (0.53) ELANETSHR
SCHEMBL29607284 0.82 ELANE (0.74) ELANE
SCHEMBL18481784 0.81 ELANE (0.50) ELANE
SCHEMBL720572 0.81 KDM4E (0.55) CYP1A2TSHRCYP2C19CES2MEN1
SCHEMBL991362 0.81 TSHR (0.50) CYP1A2TSHRCYP2C19CES2MEN1
SCHEMBL17295494 0.80 ELANE (0.55) ELANEMEN1KMT2A
SCHEMBL15548450 0.79 ELANE (0.65) ELANECYP1A2TSHR
SCHEMBL9979219 0.79 TSHR (0.49) CYP1A2TSHRCYP2C19CES2MEN1
Hydrogen Peroxide SCHEMBL8008634 0.79 KDM4E (0.58) CYP1A2TSHRCYP2C19CES2MEN1

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
CN-107922806-A Lamination bonding agent, multilayer film and its secondary cell is used DIC株式会社 2018-04-17 CN disclosed