SCHEMBL8195055

SCHEMBL8195055

COc1cn([C@@]2(C)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TK2 O00142 1/20 0.38
ALOX12 P18054 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RY6 Q15077 3/20 0.35
TYMS P04818 1/20 0.35
TOP2A P11388 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
SCHEMBL16187026 0.85 TK1 (0.44) TK1LMNAADRA1ATSHRBLM
SCHEMBL135210 0.85 TK1 (0.44) TK1LMNAADRA1ATSHRBLM
SCHEMBL19387606 0.84 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL27937625 0.84 TYMS (0.41) TK1LMNASMN1; SMN2TK2CYP1A2
Phosphoric Acid SCHEMBL7240883 0.81 TYMP (0.43) TK1LMNATSHRBLMPMP22
Phosphoric Acid SCHEMBL7243142 0.81 TYMP (0.43) TK1LMNATSHRBLMPMP22
SCHEMBL27937687 0.80 TYMS (0.37) TK1TK2TYMS
SCHEMBL27950980 0.79 ADAM17 (0.36) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL29087629 0.79 P2RY6 (0.38) TK1LMNASMN1; SMN2TK2P2RY6
SCHEMBL17440405 0.78 TK1 (0.33) TK1LMNASMN1; SMN2TK2ALOX12

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-0711148-B1 BIPHASIC MULTILAMELLAR LIPID VESICLES PHARMADERM LAB LTD (CA) 2000-08-30 EP claimed
EP-0711148-A1 BIPHASIC MULTILAMELLAR LIPID VESICLES The University of Saskatchewan (CA) 1996-05-15 EP claimed