SCHEMBL17835288

SCHEMBL17835288

CCCCOc1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccc(OCC(CC)CCCC)cc6)s5)c5nsnc35)SC(=C(C#N)C#N)S4)c(F)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31

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
SCHEMBL21201819 0.90 ALDH1A1 (0.32) —
SCHEMBL21201904 0.83 ALDH1A1 (0.34) —
SCHEMBL17835290 0.83 — —
SCHEMBL21201902 0.83 ALDH1A1 (0.30) —
SCHEMBL19119557 0.82 RARA (0.35) RARARARB
SCHEMBL18418543 0.78 RARA (0.36) RARARARB
SCHEMBL17176869 0.78 APP (0.33) RARARARB
SCHEMBL22299394 0.78 RAB9A (0.41) —
SCHEMBL20975632 0.78 RARA (0.35) RARARARB
SCHEMBL16265316 0.78 CYP3A4 (0.35) —

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-2016091345-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2016-06-16 — — WO disclosed
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