SCHEMBL28095381

SCHEMBL28095381

COc1ccc(-c2[c]ccc(-c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ESR2 Q92731 1/20 0.45
DYRK1A Q13627 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL27720539 1.00 ABL1 (0.47) ABL1ABCB1BCRNPC1TP53
SCHEMBL7462944 0.93 ABL1 (0.50) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL459934 0.86 CA12 (0.44) ABL1ABCB1BCRNPC1TP53
SCHEMBL7661455 0.83 ACHE (0.45) ABL1ABCB1BCRNPC1TP53
SCHEMBL1836265 0.81 GABRP (0.42) ABL1ABCB1BCRNPC1TP53
SCHEMBL11357189 0.81 GABRP (0.42) ABL1ABCB1BCRNPC1TP53
SCHEMBL5322041 0.81 MAOB (0.42) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL28824959 0.81 ABL1 (0.52) ABL1ABCB1BCRNPC1TP53
SCHEMBL11099027 0.81 ABL1 (0.52) ABL1ABCB1BCRNPC1TP53
SCHEMBL14953648 0.80 BACE1 (0.43) ABL1ABCB1BCRNPC1RAB9A

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-103827247-B Active energy ray-curable resin composition for filling voids 东亚合成株式会社 2016-08-17 CN disclosed