SCHEMBL10688146

SCHEMBL10688146

CCCCC[C@H]1CO[C@H](c2ccc(C(=O)OC3CCN(CCC)CC3)cc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ SCN1A P35498 2/20 0.41
▸ SCN2A Q99250 2/20 0.41
▸ SCN3A Q9NY46 2/20 0.41
▸ CHRM3 P20309 9/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 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
SCHEMBL10688163 1.00 CARM1 (0.43) CARM1PRMT6SCN1ASCN2ASCN3A
SCHEMBL10688151 1.00 CARM1 (0.43) CARM1PRMT6SCN1ASCN2ASCN3A
SCHEMBL10686739 0.86 ALDH1A1 (0.40) SCN1ASCN2ASCN3AGRM2ALDH1A1
SCHEMBL10686736 0.86 ALDH1A1 (0.40) SCN1ASCN2ASCN3AGRM2ALDH1A1
SCHEMBL10686727 0.86 ALDH1A1 (0.40) SCN1ASCN2ASCN3AGRM2ALDH1A1
SCHEMBL10685709 0.79 ALDH1A1 (0.46) CHRM3GRM2ALDH1A1
SCHEMBL10690466 0.77 ALDH1A1 (0.46) CHRM3MEN1KMT2AALDH1A1
SCHEMBL10690476 0.77 ALDH1A1 (0.46) CHRM3MEN1KMT2AALDH1A1
SCHEMBL10690485 0.77 ALDH1A1 (0.46) CHRM3MEN1KMT2AALDH1A1
SCHEMBL10686861 0.76 ALDH1A1 (0.45) CHRM3GRM2ALDH1A1

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-4755323-A Mixture of liquid crystalline compounds including substituted para-dioxane MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 — — US disclosed
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