SCHEMBL19650285

SCHEMBL19650285

C[C@@H]1C(=O)O[C@@H]2C(OCc3ccccc3)[C@]12OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BCHE P06276 4/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ CTSF Q9UBX1 1/20 0.38
▸ CCKBR P32239 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ PTAFR P25105 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL19101726 0.84 CTSV (0.39) MAPTCYP2C19BCHECTSVCTSL
SCHEMBL19292430 0.83 CTSV (0.38) MAPTCYP2C19BCHECTSVCTSL
SCHEMBL19962794 0.83 BCHE (0.38) MAPTCYP2C19BCHECTSVCTSL
SCHEMBL19644574 0.83 CTSL (0.36) MAPTCYP2C19BCHECTSVCTSL
SCHEMBL12310817 0.70 CTSV (0.39) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL19997427 0.70 BCHE (0.41) CYP2C19BCHEIDO1ALDH1A1
SCHEMBL19088039 0.69 CTSV (0.40) MAPTCYP2C19BCHECTSVCTSL
SCHEMBL24158036 0.68 BCHE (0.44) CYP2C19BCHECTSVCTSLCTSB
SCHEMBL3300637 0.67 LMNA (0.41) BCHECTSVCTSLCTSBCTSS
SCHEMBL24168933 0.67 LMNA (0.41) BCHECTSVCTSLCTSBCTSS

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-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
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