SCHEMBL818385

SCHEMBL818385

C=C(C)c1ccccc1C1CN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ RAD52 P43351 1/20 0.31

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
SCHEMBL816886 0.84 CA1 (0.31) —
SCHEMBL23323103 0.81 MEN1 (0.40) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL29139947 0.81 MEN1 (0.40) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL13442255 0.81 PBRM1 (0.38) MEN1MAPTKMT2A
SCHEMBL816985 0.80 ALDH1A1 (0.31) —
SCHEMBL817723 0.74 HTR2C (0.45) CHRNB4CHRNA3
SCHEMBL817421 0.73 HTR2C (0.56) —
SCHEMBL817794 0.72 HTR2A (0.43) —
SCHEMBL107161 0.71 MEN1 (0.40) ADRA2AADRA2BADRA2CMEN1GAA
SCHEMBL29434165 0.71 MEN1 (0.40) ADRA2AADRA2BADRA2CMEN1GAA

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 — — US disclosed
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