SCHEMBL9302592

SCHEMBL9302592

CC(C1=CC=CC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
CYP2D6 P10635 1/20 0.38
TAAR1 Q96RJ0 3/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
DAO P14920 1/20 0.33
HIF1A Q16665 1/20 0.33
MC4R P32245 1/20 0.33
COMT P21964 3/20 0.33
VKORC1 Q9BQB6 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7719567 0.81 SLC6A3 (0.37) CYP2D6KMT2AKDM4ELMNAMEN1
SCHEMBL28838088 0.81 SLC6A3 (0.37) CYP2D6KMT2AKDM4ELMNAMEN1
SCHEMBL4021598 0.79
SCHEMBL11066697 0.78 MEN1 (0.41) KMT2AKDM4ELMNAMEN1ADRA2A
Hydrochloric Acid SCHEMBL8677325 0.78 SLC6A2 (0.39) CYP2D6KMT2AKDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL8677321 0.78 SLC6A2 (0.34) CYP2D6TAAR1KMT2AKDM4ELMNA
SCHEMBL12846240 0.78 DPP4 (0.39) CYP2D6KDM4ELMNAHSD17B10ADRA2A
SCHEMBL21044901 0.76 GAA (0.37) CYP2D6KMT2AKDM4EMEN1GAA
Hydrochloric Acid SCHEMBL9170339 0.75
Hydrochloric Acid SCHEMBL9170334 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1820034-A Polyolefin adhesive compositions and articles made therefrom EXXONMOBIL CHEMICAL PATENTES I (US) 2006-08-16 CN disclosed
CN-1705688-A Multi-catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEM PATENTS INC (US) 2005-12-07 CN disclosed
US-5349100-A Chiral metallocene compounds and preparation thereof by creation of a chiral center by enantioselective hydride transfer EXXON CHEMICAL PATENTS INC. (US) 1994-09-20 US disclosed
WO-1992012112-A1 CHIRAL METALLOCENE COMPOUNDS AND PREPARATION THEREOF BY CREATION OF A CHIRAL CENTER BY ENANTIOSELECTIVE HYDRIDE TRANSFER EXXON CHEMICAL PATENTS INC. (US) 1992-07-23 WO disclosed