SCHEMBL7220797

SCHEMBL7220797

CCC(C#N)(Cc1ccc(OC)cc1)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.41
F2RL1 P55085 1/20 0.40
PTPRB P23467 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7219578 0.83 L3MBTL1 (0.44) ACACBPOLBMAPTKMT2ALMNA
SCHEMBL7215823 0.83 ALDH1A1 (0.50) ACACBSMN1; SMN2MAPTKMT2A
SCHEMBL13953042 0.77 SMN1; SMN2 (0.47) ACACBSMN1; SMN2F2RL1POLBMAPT
SCHEMBL16341200 0.75 ACACB (0.60) ACACBSMN1; SMN2HTTF2RL1PTPRB
SCHEMBL7216025 0.75 ALDH1A1 (0.42) ACACBSMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL13953377 0.73 SMN1; SMN2 (0.43) ACACBSMN1; SMN2HTTF2RL1POLB
SCHEMBL10535719 0.71 SMN1; SMN2 (0.49) ACACBSMN1; SMN2HTTF2RL1KMT2A
SCHEMBL10778646 0.69 SMN1; SMN2 (0.47) ACACBSMN1; SMN2HTTF2RL1PTPRB
SCHEMBL4462138 0.69 GAA (0.41) ACACBSMN1; SMN2HTTF2RL1MAPT
SCHEMBL2241052 0.69 LDHA (0.49) SMN1; SMN2HTTF2RL1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6504046-B1 Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-07 US disclosed
EP-1092705-A1 PROCESS FOR THE PREPARATION OF AMIDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed