SCHEMBL9099779

SCHEMBL9099779

CCCCCCS[C@H](CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.44
PPARD Q03181 7/20 0.42
CES2 O00748 1/20 0.42
LCK P06239 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40

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
SCHEMBL3420845 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL5698801 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL18944802 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL1644134 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL3421829 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL9099579 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL27395436 1.00 EPHX1 (0.52) EPHX1MAPTHSD17B10GMNNTP53
SCHEMBL6237122 0.92 CA2 (0.43) EPHX1MAPTHSD17B10GMNNTP53
Butyric Acid SCHEMBL29174521 0.91 GPR84 (0.47) EPHX1MAPTHSD17B10GMNNTP53
Butyric Acid SCHEMBL22772258 0.91 GPR84 (0.47) EPHX1MAPTHSD17B10GMNNTP53

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-5498786-A Synthesis of intermediates in the preparation of ACAT inhibitors PFIZER INC. (US) 1996-03-12 US disclosed
WO-1992013843-A1 SYNTHESIS OF INTERMEDIATES IN THE PREPARATION OF ACAT INHIBITORS PFIZER INC. (US) 1992-08-20 WO disclosed