SCHEMBL20482522

SCHEMBL20482522

COCCCOc1cc(CC2(C(=O)OC)CC(F)(F)C2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ SMPD1 P17405 3/20 0.39

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
SCHEMBL20482549 0.83 REN (0.44) RENALDH1A1
SCHEMBL20482570 0.80 REN (0.41) REN
SCHEMBL20482799 0.79 REN (0.39) REN
SCHEMBL20482637 0.78 KMT2A (0.48) RENALDH1A1
SCHEMBL20482672 0.78 REN (0.46) RENALDH1A1SMPD1
SCHEMBL20482612 0.78 KDM4E (0.36) RENALDH1A1
SCHEMBL20482537 0.77 REN (0.43) RENALDH1A1
SCHEMBL20482664 0.76 REN (0.45) REN
SCHEMBL20482253 0.73 SMPD1 (0.52) ALDH1A1SMPD1
SCHEMBL17709374 0.73 REN (0.49) RENALDH1A1SMPD1

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-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 — — WO disclosed
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