SCHEMBL10486147

SCHEMBL10486147

CCO[C@H]1CC[C@H]([C@H]2CC[C@H](OCC)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10486140 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL184319 0.90
SCHEMBL12855787 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL10486145 0.89 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL10486149 0.89 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL12227898 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL10707153 0.89 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL689556 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10017474 0.87 CYP19A1 (0.33)
SCHEMBL10702832 0.87 CYP19A1 (0.33)

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
US-4868341-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-19 US disclosed