SCHEMBL6941421

SCHEMBL6941421

CC(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33

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
SCHEMBL18338627 0.89 PPM1D (0.38) PPM1D
SCHEMBL18338642 0.89 PPM1D (0.38) PPM1D
SCHEMBL18338628 0.89 PPM1D (0.38) PPM1D
SCHEMBL19336162 0.84 CHRM2 (0.34) PPM1DCHRM2CHRM4CHRM5CHRM1
SCHEMBL15301702 0.84 CHRM2 (0.34) PPM1DCHRM2CHRM4CHRM5CHRM1
SCHEMBL4606860 0.84 CHRM2 (0.34) PPM1DCHRM2CHRM4CHRM5CHRM1
SCHEMBL15301704 0.84 CHRM2 (0.34) PPM1DCHRM2CHRM4CHRM5CHRM1
SCHEMBL6653252 0.84 CHRM2 (0.34) PPM1DCHRM2CHRM4CHRM5CHRM1
SCHEMBL7525409 0.83 CHRM2 (0.33) PPM1DCHRM2CHRM4CHRM5CHRM1
SCHEMBL6652402 0.83 CHRM2 (0.33) PPM1DCHRM2CHRM4CHRM5CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235832-B1 VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES THERAMEX (MC) 2003-11-19 — — EP disclosed
US-6191292-B1 ENZYMATIC ESTERIFICATION OF A DIOL, E.G., METHYL-3-ACETOXY-5-HYDROXY-CYCLOHEXANECARBOXYLATE BY A LIPASE AND VINYL ALKANOATE OR AN ACID ANHYDRIDE; CYCLIZATION TO A BICYCLIC(3.1.0)HEXANE DERIVATIVE LABORATOIRE THERAMEX (MC) 2001-02-20 — — US disclosed
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