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SCHEMBL19987320

SCHEMBL19987320

CC(C)OC(O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)C1(C)CO)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ P2RY2 P41231 6/20 0.40
▸ P2RY6 Q15077 4/20 0.40
▸ P2RY14 Q15391 4/20 0.40
▸ P2RY12 Q9H244 3/20 0.35
▸ P2RY4 P51582 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
SCHEMBL19987220 0.87 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987240 0.87 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987304 0.82 CYP3A4 (0.36) CYP3A4CYP2C9P2RY6P2RY14
SCHEMBL21511188 0.82 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987156 0.82 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL23890218 0.81 CYP3A4 (0.77) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19194419 0.81 CYP3A4 (0.77) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987241 0.81 CYP3A4 (0.70) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL21511229 0.80 CYP3A4 (0.64) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987374 0.78 NT5E (0.43) —

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
WO-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 — — WO disclosed