SCHEMBL20083494

SCHEMBL20083494

CCCCCC(C)c1ccc(-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 9/20 0.39
▸ RARB P10826 2/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ BDKRB2 P30411 2/20 0.36
▸ GCGR P47871 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ GRIA4 P48058 1/20 0.33

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
SCHEMBL19775721 0.83 ANPEP (0.38) ANPEPCYP17A1GRIA4
SCHEMBL20976665 0.82 ANPEP (0.41) ANPEP
SCHEMBL21919623 0.82 ANPEP (0.43) ANPEPCYP17A1
SCHEMBL19446469 0.81 ANPEP (0.39) ANPEPCYP17A1
SCHEMBL6678858 0.79 OPRM1 (0.44) BDKRB2
SCHEMBL22649183 0.78 HTR7 (0.39) —
SCHEMBL8217828 0.78 HTR7 (0.39) —
SCHEMBL9137197 0.77 SLC2A1 (0.44) —
SCHEMBL6684351 0.77 SLC2A1 (0.44) —
SCHEMBL21536775 0.76 PSMD14 (0.41) GCGR

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-2933309-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2018-04-25 — — EP disclosed
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