SCHEMBL14327694

SCHEMBL14327694

CCC(C)(C)c1cc(F)cc(C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 9/20 0.46
▸ SQOR Q9Y6N5 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RIPK1 Q13546 2/20 0.30

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
SCHEMBL22543799 0.85 HSD17B10 (0.39) HMGCRSQORHSD17B10
SCHEMBL24966591 0.77 HSP90AA1 (0.41) SQORHSD17B10
SCHEMBL25928607 0.72 KDM4E (0.38) HMGCRSQORHSD17B10
SCHEMBL19254164 0.71 HMGCR (0.38) HMGCR
SCHEMBL22549257 0.71 HSD17B10 (0.41) SQORHSD17B10
SCHEMBL24848200 0.71 HRH4 (0.35) SQORHSD17B10
SCHEMBL18532051 0.71 HMGCR (0.38) HMGCR
SCHEMBL18415080 0.71 LOXL2 (0.34) RIPK1
SCHEMBL12473918 0.69 BACE1 (0.47) —
SCHEMBL18879383 0.69 HSP90AA1 (0.39) HMGCRHSD17B10

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-2537875-A1 NOVEL POLYAZOMETHINE Soken Chemical & Engineering Co., Ltd. (JP) 2012-12-26 — — EP disclosed
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