SCHEMBL9856294

SCHEMBL9856294

CCC(C)Sc1ccc(OCCS)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.39
PPARA Q07869 10/20 0.39
ALOX5 P09917 8/20 0.39
PTGES O14684 5/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL10789684 0.86 LTA4H (0.44) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9268024 0.83 NR1I2 (0.49) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9268482 0.83 PPARG (0.42) PPARGPPARAALOX5PTGESTDP1
SCHEMBL9856269 0.83 TAAR1 (0.44) PPARGPPARAALOX5PTGESTDP1
SCHEMBL9262825 0.78 NPC1 (0.40) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL23295252 0.78 NQO1 (0.34) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9856427 0.77 PPARG (0.38) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9856458 0.77 MTNR1A (0.43) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10394254 0.77 MTNR1A (0.38) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9856170 0.77 CA12 (0.44) ALDH1A1SMN1; SMN2

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
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