SCHEMBL11148740

SCHEMBL11148740

CCCCCCCCCCCCCCCCCCC(O)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.48
▸ TK1 P04183 2/20 0.45
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ PLA2G2A P14555 2/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ PLA2G5 P39877 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SPHK1 Q9NYA1 3/20 0.38
▸ DUT P33316 1/20 0.38
▸ CTSG P08311 1/20 0.37
▸ CTRB1 P17538 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ SPHK2 Q9NRA0 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL1963646 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL2311831 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL1966482 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL1965096 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL11290300 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL1966075 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL1965903 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL1962165 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL1964110 1.00 CSNK1E (0.48) CSNK1ETK1PRSS1PRSS2PRSS3
SCHEMBL2309112 0.95 CSNK1E (0.44) CSNK1ETK1PRSS1PRSS2PRSS3

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
EP-0094186-A1 Glycerol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 — — EP disclosed
Send feedback