SCHEMBL3683113

SCHEMBL3683113

C=C(C)C(=O)OCC(CC)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KLK7 P49862 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
APEX1 P27695 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
SCHEMBL6569467 0.84 TSHR (0.51) TSHRALDH1A1KDM4EGAALMNA
SCHEMBL6263251 0.80 TSHR (0.44) TSHRCYP1A2ALDH1A1GAALMNA
SCHEMBL5345238 0.79 TSHR (0.42) TSHRALDH1A1KDM4EGAAHTT
SCHEMBL9357832 0.78 FBP1 (0.42) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12091771 0.75 CYP1A2 (0.40) TSHRCYP1A2ALDH1A1KDM4EGAA
SCHEMBL2517022 0.75 TSHR (0.55) TSHRCYP1A2ALDH1A1GAAALOX15
SCHEMBL14192620 0.75 CYP1A2 (0.50) TSHRCYP1A2ALDH1A1KDM4EGAA
SCHEMBL16595000 0.74 TDP1 (0.41) TSHRALDH1A1KDM4EGAAHTT
SCHEMBL11465517 0.74 TSHR (0.47) TSHRALDH1A1KDM4EGAALMNA
Diphenylamine SCHEMBL16552456 0.74 MAPT (0.55) CYP1A2ALDH1A1GAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020649-A1 A METHOD TO GENERATE CONDUCTIVE POLYMER NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2024-02-01 WO disclosed
EP-3036289-A1 LIGHT HARVESTING ARRAY Flurosol Industries Pty Ltd. (AU) 2016-06-29 EP disclosed
WO-2015024064-A1 LIGHT HARVESTING ARRAY FLUROSOL INDUSTRIES PTY LTD (AU) 2015-02-26 WO disclosed
US-20100286331-A1 TWO OR MORE-COMPONENT SYSTEM CURED BY A REDOX INITIATOR SYSTEM WITH CONTROLLABLE WORKING LIFE, AND THE USE THEREOF EVONIK ROEHM GMBH (DE) 2010-11-11 US disclosed
US-20100210784-A1 EMULSION POLYMER COMPRISING ACTIVATORS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF IN TWO-COMPONENT OR MULTICOMPONENT SYSTEMS EVONIK RÖHM GMBH (DE) 2010-08-19 US disclosed