SCHEMBL28161970

SCHEMBL28161970

C=C(c1ccccc1)c1ccc(CC2COCCN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRL1 P41146 1/20 0.33
PLG P00747 2/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
GAA P10253 1/20 0.31
GBA1 P04062 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
SCHEMBL1176855 0.84 POLB (0.54) POLBMEN1KMT2AOPRM1OPRK1
SCHEMBL2333756 0.84 POLB (0.54) POLBMEN1KMT2AOPRM1OPRK1
SCHEMBL5408210 0.84 POLB (0.54) POLBMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL17700584 0.82 POLB (0.53) POLBMEN1KMT2AOPRM1OPRK1
SCHEMBL29197763 0.78 KDM1A (0.39) POLB
SCHEMBL29197761 0.78 KDM1A (0.39) POLB
SCHEMBL23459229 0.75 POLB (0.60) POLBPLGGBA1
SCHEMBL1177083 0.75 MALT1 (0.41) POLB
SCHEMBL23459230 0.75 POLB (0.60) POLBPLGGBA1
SCHEMBL18577123 0.75 MALT1 (0.41) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001491-B Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2018-07-06 CN disclosed
CN-107001491-A Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2017-08-01 CN disclosed