SCHEMBL2154033

SCHEMBL2154033

COc1ccc(C2=CC=CC[CH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR2 Q92731 1/20 0.39
APP P05067 1/20 0.38
TP53 P04637 3/20 0.36
MAPK1 P28482 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
BACE1 P56817 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL2153842 0.81 RIPK1 (0.32)
SCHEMBL10682585 0.75 CYP1A2 (0.34) NPC1RAB9ASMN1; SMN2CYP2A6MAPT
SCHEMBL5264518 0.74 KIF11 (0.39) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6041001 0.74 ALDH1A1 (0.35) ALDH1A1MAPTLMNA
SCHEMBL4774276 0.71 MAPT (0.40) TP53KDM4EMAPTNISCHCYP3A4
SCHEMBL4805626 0.70 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL7025969 0.68 APP (0.46) APPNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5135826 0.68 CA12 (0.42) CA1CA2CA7CA9CA12
SCHEMBL5887237 0.67 MAPT (0.37) TP53NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL197522 0.67 CA1 (0.79) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083646-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2016-10-26 EP disclosed
WO-2016054804-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO disclosed
WO-2015094207-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-06-25 WO disclosed
EP-2858750-A1 PHOSPHINYL GUANIDINE COMPOUNDS, METAL SALT COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2015-04-15 EP disclosed
WO-2013184579-A1 PHOSPHINYL GUANIDINE COMPOUNDS, METAL SALT COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-12-12 WO disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed