SCHEMBL11244967

SCHEMBL11244967

O=C(O)OCC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 1/20 0.47
SRC P12931 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL11385770 0.86 CA12 (0.57) CA12CA1CA2CA9CYP2D6
SCHEMBL11244962 0.86 CA12 (0.57) CA12CA1CA2CA9CYP2D6
SCHEMBL11385774 0.83 CA12 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL28913986 0.83 CA12 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL28883413 0.83 CA12 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL9601857 0.83 CA12 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL5469389 0.83 CA12 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL9601863 0.83 ALDH1A1 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL9821932 0.83 ALDH1A1 (0.53) CA12CA1CA2CA9CYP2D6
SCHEMBL2836233 0.83 SMN1; SMN2 (0.48) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234054-A Dialkyl carbonates, methods of making and using the same 亨斯迈石油化学有限责任公司 2021-08-10 CN disclosed
CN-108586254-B Process for producing diaryl carbonate and process for producing aromatic polycarbonate 旭化成株式会社 2021-06-18 CN disclosed
CN-108395374-B Process for producing diaryl carbonate 旭化成株式会社 2021-03-30 CN disclosed
US-4330665-A Process for the preparation of aromatic polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed