SCHEMBL9856462

SCHEMBL9856462

CCC(C)Sc1ccc(OCCNC(O)=S)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALOX5 P09917 3/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
XBP1 P17861 1/20 0.39
PTGES O14684 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 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
SCHEMBL10394255 0.96 USP2 (0.37) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL10394254 0.88 MTNR1A (0.38) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL9856458 0.83 MTNR1A (0.43) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL9856024 0.82 LMNA (0.44) MAPK1MTNR1AMTNR1BNPSR1SMN1; SMN2
SCHEMBL9856511 0.81 L3MBTL1 (0.47) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL10394859 0.80 MTNR1A (0.44) TSHRMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL9855896 0.79 L3MBTL1 (0.41) TSHRALOX5PPARGPPARASMN1; SMN2
SCHEMBL9856429 0.79 ALDH1A1 (0.43) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL9856153 0.78 LMNA (0.41) MAPK1MTNR1AMTNR1BNPSR1SMN1; SMN2
SCHEMBL9268024 0.78 NR1I2 (0.49) USP2MAPK1ALOX5PPARGPPARA

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
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US claimed
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed