SCHEMBL19446469

SCHEMBL19446469

CCC(CC)CCC(C)c1ccc(-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 13/20 0.39
▸ CYP17A1 P05093 1/20 0.37

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
SCHEMBL20976665 0.85 ANPEP (0.41) ANPEP
SCHEMBL21919623 0.85 ANPEP (0.43) ANPEPCYP17A1
SCHEMBL19775433 0.83 CYP17A1 (0.41) CYP17A1
SCHEMBL19775721 0.83 ANPEP (0.38) ANPEPCYP17A1
SCHEMBL20083494 0.81 ANPEP (0.39) ANPEPCYP17A1
SCHEMBL22030362 0.75 CYP17A1 (0.40) CYP17A1
SCHEMBL24910323 0.74 ANPEP (0.47) ANPEP
SCHEMBL18459127 0.73 SLC6A4 (0.46) ANPEPCYP17A1
SCHEMBL20888559 0.69 TRPA1 (0.33) —
SCHEMBL18458616 0.69 SLC6A4 (0.41) ANPEPCYP17A1

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-3228682-A2 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC Corporation (JP) 2017-10-11 — — EP disclosed
Send feedback