SCHEMBL21168796

SCHEMBL21168796

CC(C)=C/C=C\Cn1c2c(c3ccccc31)CC=C2

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL4872138 0.69 KDM4E (0.45) PTGDR2ALDH1A1KDM4EMEN1GLA
SCHEMBL4870982 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GLACASP1
SCHEMBL22385707 0.68 CYP1A2 (0.41) ALDH1A1KDM4E
SCHEMBL21779759 0.67 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1CASP1CASP7
SCHEMBL15722716 0.67 GPR3 (0.48) ALDH1A1KDM4EHSD17B10
SCHEMBL4865387 0.64 GPR3 (0.30) CA1CA2
SCHEMBL4868842 0.63 MAOA (0.36) ALDH1A1KDM4EHSD17B10
SCHEMBL13538135 0.61 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1CASP1CASP7
SCHEMBL11773389 0.61 SNCA (0.51) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13071958 0.61 CYP1A2 (0.47) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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
EP-3511321-A1 ORGANIC LIGHT-EMITTING ELEMENT, AND LIGHT-EMITTING MATERIAL AND COMPOUND FOR USE THEREIN Toyobo Co., Ltd. (JP) 2019-07-17 — — EP disclosed
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