SCHEMBL21704016

SCHEMBL21704016

C=C/C=c1/sc2ccccc2/c1=C/C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL18560415 0.83 GPR3 (0.40) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL22600637 0.83 GPR3 (0.43) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL17950785 0.76 GPR3 (0.39) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL24426308 0.73 GPR3 (0.43) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL22617560 0.72 GPR3 (0.35) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL24712682 0.71 GPR3 (0.34) GPR3ALDH1A1
SCHEMBL20457481 0.71 ALDH1A1 (0.35) GPR3KDM4ELMNAALDH1A1
SCHEMBL19880545 0.69 GPR3 (0.43) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL16325408 0.69 ALDH1A1 (0.38) GPR3KDM4ELMNAALDH1A1
SCHEMBL21250117 0.69 GPR3 (0.35) GPR3

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
WO-2020032574-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-13 — — WO disclosed
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