SCHEMBL8341995

SCHEMBL8341995

C#CC(C)(O)Cc1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CYP3A4 P08684 2/20 0.38
CASP1 P29466 2/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
SLC6A2 P23975 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL10925250 0.82 DRD2 (0.47) CYP3A4TAAR1KDM4EMAPTALOX15
SCHEMBL14341098 0.81 MAOB (0.50) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL9810146 0.79 SLC6A2 (0.50) MAOBMAOACYP3A4RECQLALDH1A1
SCHEMBL1691673 0.77 MAOB (0.54) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL6617434 0.75 SLC6A2 (0.61) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL19790700 0.73 MAOB (0.50) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL5086046 0.73 MAOA (0.55) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL22164805 0.73 MAOB (0.46) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL23682536 0.72 MAOB (0.48) CYP19A1MAOBMAOACYP3A4CASP1
SCHEMBL13809217 0.71 MAOB (0.44) CYP19A1MAOBMAOACYP3A4CASP1

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
CN-117964934-A Release film capable of carrying ceramic casting and preparation method thereof 深圳市睿华涂布科技有限公司 2024-05-03 CN claimed
US-5902902-A Process for the industrial preparation of aminoacetylenes SECIFARMA S.P.A. (IT) 1999-05-11 US disclosed