SCHEMBL9855896

SCHEMBL9855896

CCNC(=S)OCCOc1ccc(SC(C)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 6/20 0.35
PPARA Q07869 6/20 0.35
ALOX5 P09917 5/20 0.35
TSHR P16473 1/20 0.35
PTGES O14684 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9856104 0.85 LMNA (0.40) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL9856148 0.81 L3MBTL1 (0.42) L3MBTL1ALDH1A1MEN1KMT2AHRH3
SCHEMBL9856462 0.79 USP2 (0.40) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL10394254 0.78 MTNR1A (0.38) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL9856629 0.77 SMN1; SMN2 (0.43) PPARGPPARAALOX5TSHRPTGES
SCHEMBL10795759 0.77 PPARG (0.33) PPARGPPARAALOX5PTGESLMNA
SCHEMBL9268024 0.76 NR1I2 (0.49) PPARGPPARAALOX5PTGESLMNA
SCHEMBL9856527 0.76 L3MBTL1 (0.46) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL10394255 0.76 USP2 (0.37) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL9856528 0.76 L3MBTL1 (0.46) L3MBTL1PPARGPPARAALOX5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 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
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed