SCHEMBL9844668

SCHEMBL9844668

C=CCCCC1(C)OC1CO

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.36
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9844667 1.00 LSS (0.36) LSSTSHRALDH1A1
SCHEMBL9844660 0.76 USP2 (0.38) LSSALDH1A1
SCHEMBL9844661 0.76 USP2 (0.38) LSSALDH1A1
SCHEMBL9263279 0.72 CDC25A (0.33) —
SCHEMBL11001883 0.72 LSS (0.35) LSSALDH1A1
SCHEMBL9650230 0.72 LSS (0.35) LSSALDH1A1
SCHEMBL310618 0.72 LSS (0.35) LSSALDH1A1
SCHEMBL10629087 0.72 LSS (0.35) LSSALDH1A1
SCHEMBL6113547 0.71 LSS (0.32) LSS
SCHEMBL6438289 0.68 — —

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-0410244-A1 Leukotriene antagonists BAYER AG (DE) 1991-01-30 — — EP disclosed
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