SCHEMBL8435774

SCHEMBL8435774

CCCS(=O)(=O)c1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.41
CYP2C9 P11712 5/20 0.35
CYP2C19 P33261 4/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 4/20 0.33
HSD11B1 P28845 2/20 0.33
CYP2D6 P10635 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PNMT P11086 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
SCHEMBL160580 0.86 PSIP1 (0.56) PSIP1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10606555 0.86 THRB (0.42) PSIP1CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL8926410 0.86 THRB (0.42) PSIP1CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL28245872 0.86 THRB (0.42) PSIP1CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL7863515 0.81 HSD11B1 (0.33) PSIP1ALDH1A1HSD17B10HSD11B1TDP1
SCHEMBL28640869 0.81 HTR6 (0.33) PSIP1HSD11B1
SCHEMBL4524280 0.81 CA2 (0.47) PSIP1ALDH1A1MAPTHSD11B1
SCHEMBL28129004 0.81 LOX (0.40) PSIP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL9572295 0.80 HSD11B1 (0.35) PSIP1MAPTHSD11B1CYP2D6
SCHEMBL28206252 0.77 PSIP1 (0.34) PSIP1ALDH1A1MAPTKMT2AHSD17B10

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-5922719-A 4-AROMATIC-SUBSTITUTED-PIPERAZIN-1-YLMETHYLCHROMEN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed