SCHEMBL6598672

SCHEMBL6598672

CCCCCCCCSC(SCCCCCCCC)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
SPHK1 Q9NYA1 1/20 0.39
THRB P10828 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FDPS P14324 3/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL14401497 0.84 EPHX1 (0.46) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL13947314 0.84 EPHX1 (0.46) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL10886661 0.82 EPHX1 (0.52) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL2773744 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL29835069 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL23015007 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL4897786 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL2772887 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL11448367 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2
SCHEMBL7671118 0.81 EPHX1 (0.55) EPHX1SPHK1THRBHSD17B10CES2

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
EP-1373196-A2 SULFOXIDES OR SULFONES GRAFTED ONTO POLYMERS Ciba SC Holding AG (CH) 2004-01-02 EP disclosed
WO-2002081432-A2 SULFOXIDES OR SULFONES GRAFTED ONTO POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-17 WO disclosed