SCHEMBL27504305

SCHEMBL27504305

O=C(O)C1OC(c2ccccc2)(C2CCCCC2)OC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 8/20 0.38
CHRM4 P08173 8/20 0.38
CHRM5 P08912 8/20 0.38
CHRM1 P11229 8/20 0.38
CHRM3 P20309 8/20 0.38
ATM Q13315 2/20 0.37
PPME1 Q9Y570 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
SCHEMBL28412112 0.72 BACE1 (0.40) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL14039627 0.70 CHRM2 (0.43) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL15571396 0.68 ALDH1A1 (0.39) GRIN1GRIN2ALMNAHTTCHRM2
SCHEMBL27721335 0.67 GRIN1 (0.44) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL23269499 0.66 CHRM2 (0.43) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL16409353 0.65 CHRM2 (0.57) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL28843857 0.64 GRIN1 (0.36) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL10417243 0.64 AKR1C1 (0.46) LMNAHTTCHRM3ATMPPME1
SCHEMBL28266321 0.63 CHRM2 (0.40) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL30877933 0.63 AKR1C1 (0.46) LMNAHTT

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
CN-1196694-C Polymerizable, photoactive 1, 3-dioxolane diesters ROLIC AG (CH) 2005-04-13 CN disclosed
CN-1258291-A Polymerizable, photoactive 1, 3-dioxolane diesters ROLIC AG (CH) 2000-06-28 CN disclosed