SCHEMBL9130845

SCHEMBL9130845

[CH2]C(COc1ccccc1)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB3 P13945 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN4A P35499 2/20 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
SCHEMBL3364884 0.82 POLB (0.60) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL578331 0.81 MTNR1A (0.58) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL5516567 0.80 LMNA (0.51) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL28053099 0.80 THRB (0.55) MTNR1AMTNR1BLMNATHRBALOX15
SCHEMBL7242378 0.79 PPARG (0.56) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL8611898 0.78 POLB (0.60) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL8611902 0.78 POLB (0.56) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL11259813 0.77 MTNR1A (0.50) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL11629144 0.77 POLB (0.55) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL11957636 0.77 POLB (0.55) MTNR1AMTNR1BLMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428138-A Colorfastness, washfastness, pH sensitivity CASSELLA AG (DE) 1995-06-27 US disclosed
EP-0391121-B1 Monoazo dyes, their preparation and use CASSELLA FARBWERKE MAINKUR AG (DE) 1994-11-23 EP disclosed
EP-0387642-B1 Mixture of dyes CASSELLA FARBWERKE MAINKUR AG (DE) 1994-07-27 EP disclosed
EP-0222255-B1 MIXTURES OF BLUE DISPERSE DYES AND THEIR USE IN DYEING POLYESTERS CASSELLA Aktiengesellschaft (DE) 1992-08-26 EP disclosed
US-RE33908-E Mixtures of blue mono-azo disperse dyestuffs and their use for dyeing polyester CASSELLA AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
US-5071443-A BLUE AZO DYESTUFF MIXTURE FOR STRONG BLUE COLOR ON HYDROPHOBIC FIBERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0391121-A1 Monoazo dyes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1990-10-10 EP disclosed
US-4678476-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
EP-0222255-A2 Mixtures of blue disperse dyes and their use in dyeing polyesters CASSELLA Aktiengesellschaft (DE) 1987-05-20 EP disclosed
EP-0031295-B1 ORGANIC ANTIMONY-SULPHUR COMPOUNDS, THEIR USE AS STABILISERS IN CHLORIC THERMOPLASTICS, AND THERMOPLASTICS SO STABILISED CIBA-GEIGY AG (CH) 1983-05-18 EP disclosed
US-4367304-A Novel organic antimony-sulfur compounds and their use as stabilizers for chlorine-containing thermoplasts CIBA-GEIGY CORPORATION (US) 1983-01-04 US disclosed
EP-0031295-A1 Organic antimony-sulphur compounds, their use as stabilisers in chloric thermoplastics, and thermoplastics so stabilised CIBA-GEIGY AG (CH) 1981-07-01 EP disclosed
US-4066661-A PROCESS FOR THE PREPARATION OF SUBSTITUTED TRICHLOROACETAMIDINE DERIVATIVES MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4065464-A Process for the preparation of substituted trichloroacetamidine derivatives MERCK & CO., INC. (US) 1977-12-27 US disclosed
US-4065465-A Process for the preparation of substituted trichloroacetamidine derivatives MERCK & CO., INC. (US) 1977-12-27 US disclosed