SCHEMBL9723682

SCHEMBL9723682

COC(C)OC(C)OC(=O)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAOA P21397 2/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL10533713 0.93 LMNA (0.50) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL4334155 0.87 LMNA (0.55) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL17797792 0.83 CA1 (0.55) LMNACA12CA1CA2CA7
SCHEMBL3320116 0.80 CA12 (0.68) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL28927209 0.78 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL10880499 0.78 LMNA (0.59) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL9004307 0.77 CA1 (0.48) LMNACA12CA1CA2CA7
SCHEMBL17824411 0.77 MAPT (0.49) LMNACA12CA1CA2CA7
SCHEMBL26102695 0.76 CA12 (0.52) LMNACA12CA1CA2CA7
SCHEMBL10885498 0.76 PDCD1 (0.49) LMNACYP1A2CYP3A4MAOACA12

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
US-5102448-A Hot melt of solid ink composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-07 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed