SCHEMBL28019376

SCHEMBL28019376

CCCCCCCCN(CCCCCCCC)OC(=O)C(C)=CCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.40
LSS P48449 1/20 0.37
EPHX2 P34913 4/20 0.35
EP300 Q09472 1/20 0.33
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL28019318 0.88
SCHEMBL3688741 0.84 ZDHHC20 (0.36) DNM1EPHX2EP300ZDHHC20ZDHHC2
SCHEMBL3801335 0.84 ZDHHC20 (0.36) DNM1EPHX2EP300ZDHHC20ZDHHC2
SCHEMBL28061988 0.83 CA12 (0.32) EP300
SCHEMBL1853325 0.83 ZDHHC20 (0.33) DNM1EP300ZDHHC20ZDHHC2TSHR
SCHEMBL27937213 0.81 TSHR (0.50) DNM1LSSTHRATHRBTSHR
SCHEMBL8349323 0.81 TSHR (0.50) DNM1LSSTHRATHRBTSHR
SCHEMBL5586187 0.81 TSHR (0.50) DNM1LSSTHRATHRBTSHR
Hydrochloric Acid SCHEMBL28935549 0.79 TSHR (0.49) DNM1LSSTHRATHRBTSHR
Hydrochloric Acid SCHEMBL28935589 0.79 TSHR (0.49) DNM1LSSTHRATHRBTSHR

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-105051071-A Rubber composition comprising emulsion-polymerized conjugated diene polymer and silica suspension, and process for producing same ETIC INC 2015-11-11 CN disclosed