SCHEMBL5316260

SCHEMBL5316260

CCC(C)CSc1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
ACHE P22303 4/20 0.40
OPRM1 P35372 2/20 0.40
TSHR P16473 1/20 0.40
SLC22A1 O15245 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.38
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 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
SCHEMBL19890916 0.87 MAOA (0.49) MAOASMN1; SMN2MAOBMTNR1AMTNR1B
SCHEMBL19876742 0.79 MAOA (0.68) MAOASMN1; SMN2MAOBMTNR1AMTNR1B
SCHEMBL24088816 0.77 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL5314709 0.77 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL13074353 0.77 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL5749116 0.77 ACHE (0.47) ACHEOPRM1TSHRBLMSMN1; SMN2
SCHEMBL9872565 0.77 ADRB2 (0.41) MAOATSHRBLMALDH1A1CYP3A4
SCHEMBL5313175 0.77 MTNR1A (0.58) MAOAMTNR1AMTNR1BALDH1A1
SCHEMBL11560772 0.76 MTNR1A (0.40) MAOAACHEOPRM1TSHRBLM
SCHEMBL15659421 0.75 ACHE (0.42) ACHEOPRM1TSHRSLC22A1BLM

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
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed