SCHEMBL13996381

SCHEMBL13996381

CC1(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
MTOR P42345 1/20 0.46
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GSTP1 P09211 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3856170 1.00 PDPK1 (0.46) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL14180110 0.89 PDPK1 (0.41) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL14180089 0.89 PDPK1 (0.41) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL14180112 0.89 PDPK1 (0.43) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL17827490 0.87 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL3859887 0.87 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL14180109 0.87 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL3867701 0.87 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL3856126 0.87 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL13683691 0.87 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1

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-7465817-B2 Inositolized phospholipids CHARITE-UNIVERSITATS MEDIZIN BERLIN (DE) 2008-12-16 US disclosed