SCHEMBL11299330

SCHEMBL11299330

CCC(C)Sc1ccccc1OC(=O)NC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ACHE P22303 1/20 0.54
GAA P10253 2/20 0.47
PGR P06401 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS2 P35354 9/20 0.43
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL11856895 0.87 ALDH1A1 (0.52) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL11851437 0.87 ALDH1A1 (0.49) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL11850992 0.87 ALDH1A1 (0.49) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL11851710 0.86 ALDH1A1 (0.51) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL79643 0.85 ALDH1A1 (0.59) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL77956 0.81 ALDH1A1 (0.51) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL80510 0.79 ALDH1A1 (0.49) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL80046 0.78 ALDH1A1 (0.55) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL80187 0.75 ALDH1A1 (0.45) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL5569807 0.75 ALDH1A1 (0.71) ALDH1A1ACHEGAAPGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010580-B1 2-(1-METHYL-PROPYN-2-YL-THIO)-PHENYL-N-METHYLCARBAMATE, PROCESS FOR ITS PREPARATION AND ITS USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1982-09-29 EP disclosed
US-4239775-A 2-(1-Methylpropyn-2-yl-thio)-phenyl-N-methylcarbamate and its use for combating pests of the Acarina order BASF AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
EP-0010580-A1 2-(1-Methyl-propyn-2-yl-thio)-phenyl-N-methylcarbamate, process for its preparation and its use in combating pests BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed