SCHEMBL9487592

SCHEMBL9487592

CCCCC(CSc1ccccc1)Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PPARG P37231 6/20 0.40
PPARA Q07869 5/20 0.40
ALOX5 P09917 5/20 0.40
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGES O14684 4/20 0.37
PLA2G10 O15496 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 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
SCHEMBL9486984 0.93 MAOA (0.43) MAOAMAOBPPARGPPARAALOX5
SCHEMBL28429228 0.89 MAOA (0.48) MAOAMAOBPPARGPPARAALOX5
SCHEMBL27826666 0.84 PPARG (0.42) PPARGPPARAALOX5LMNAPAX8
SCHEMBL28426970 0.82 MAOA (0.52) MAOAMAOBLMNAPAX8MTNR1A
SCHEMBL27804824 0.79 LMNA (0.41) PPARGPPARAALOX5LMNAPAX8
SCHEMBL11407917 0.79 LMNA (0.41) PPARGPPARAALOX5LMNAPAX8
SCHEMBL1455325 0.78 PPARG (0.39) PPARGPPARAALOX5LMNAPAX8
SCHEMBL1496802 0.77 MAOA (0.47) MAOAMAOBPPARGPPARAALOX5
SCHEMBL8106186 0.77 MAOA (0.47) MAOAMAOBLMNAMTNR1AMTNR1B
SCHEMBL5968015 0.77 CSNK1E (0.41) PPARGPPARAALOX5LMNAPAX8

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-5180852-A From a disulfide and an alkene, froth flotation agents PHILLIPS PETROLEUM COMPANY (US) 1993-01-19 US disclosed
US-5132008-A Froth flotation agents PHILLIPS PETROLEUM COMPANY (US) 1992-07-21 US disclosed