SCHEMBL9856527

SCHEMBL9856527

CCNC(=O)SCCOc1ccc(S[C@@H](C)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
ALOX5 P09917 6/20 0.39
TSHR P16473 1/20 0.39
PTGES O14684 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9856528 1.00 L3MBTL1 (0.46) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9856104 0.81 LMNA (0.40) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL9856458 0.77 MTNR1A (0.43) PPARGPPARAALOX5TSHRPTGES
SCHEMBL9855896 0.76 L3MBTL1 (0.41) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL10878878 0.75 L3MBTL1 (0.49) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9268024 0.75 NR1I2 (0.49) PPARGPPARAALOX5PTGESSMN1; SMN2
SCHEMBL9856511 0.75 L3MBTL1 (0.47) L3MBTL1PPARGPPARAALOX5TSHR
SCHEMBL10789684 0.75 LTA4H (0.44) L3MBTL1PPARGPPARAALOX5PTGES
SCHEMBL9856629 0.73 SMN1; SMN2 (0.43) PPARGPPARAALOX5TSHRPTGES
SCHEMBL9856462 0.73 USP2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US claimed