SCHEMBL10533713

SCHEMBL10533713

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAOA P21397 2/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL9723682 0.93 LMNA (0.47) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL4334155 0.90 LMNA (0.55) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL17797792 0.90 CA1 (0.55) LMNACA12CA1CA2CA7
SCHEMBL28927209 0.85 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL17824411 0.83 MAPT (0.49) LMNACA12CA1CA2CA7
SCHEMBL9004307 0.83 CA1 (0.48) LMNACA12CA1CA2CA7
SCHEMBL3320116 0.82 CA12 (0.68) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL24736750 0.81 CA1 (0.47) LMNACA12CA1CA2CA7
SCHEMBL4418738 0.81 TSHR (0.57) LMNACYP1A2CA12CA1CA2
SCHEMBL10880499 0.81 LMNA (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4841036-A COLORFAST, HEAT RESISTANCE MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1989-06-20 US disclosed
US-4837309-A IMPROVED COLORFASTNESS AND LIGHTFASTNESS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-06-06 US disclosed
EP-0108570-B1 DISAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBRES AND PROCESS FOR PREPARING THE DYESTUFF MITSUBISHI KASEI CORPORATION (JP) 1986-10-29 EP disclosed
EP-0121825-B1 MONOAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBERS MITSUBISHI KASEI CORPORATION (JP) 1986-09-10 EP disclosed
EP-0121825-A1 Monoazo dyestuffs for cellulose-containing fibers MITSUBISHI KASEI CORPORATION (JP) 1984-10-17 EP disclosed
EP-0108570-A2 Disazo dyestuffs for cellulose-containing fibres and process for preparing the dyestuff MITSUBISHI KASEI CORPORATION (JP) 1984-05-16 EP disclosed
US-4208324-A Disperse diaminopyridine-3-azo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-06-17 US disclosed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4066637-A BASIC DIAMINOPYRIDINE-(3)-AZO DYESTUFFS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-4014864-A POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed