SCHEMBL7218448

SCHEMBL7218448

C=CCOC(=O)C(C)(C)/N=N/C(C)(C)C(=O)OCC=C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
RHOA P61586 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9282144 1.00 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL1705783 0.93 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL7692367 0.93 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL194466 0.80 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL7866089 0.80 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL4675516 0.78 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL877587 0.78 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL8517677 0.78 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL6194635 0.78 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL4673298 0.77 TDP1 (0.41) TSHRCYP3A4TDP1MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624239-B1 Coating powder slurry with microencapsulated particles, and production and use of the same BASF COATINGS AG (DE) 2003-09-23 US disclosed
US-6200948-B1 LOW FOAMING PROPERTIES, STORAGE-STABILITY, PEROXIDE-STABILIZATION, EMULSIFIABILITY AND REWETTABILITY; BIOGRADABLE CIBA SPECIALTY CHEMICALS CORPORATION 2001-03-13 US disclosed
US-5989715-A Laminate BASF COATINGS AG (DE) 1999-11-23 US disclosed
US-5559273-A POLYACRYLIC ACID, NONIONIC SURFACTANT CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
US-5547475-A Phosphate-free reduction bleaching formulation CIBA-GEIGY CORPORATION (US) 1996-08-20 US disclosed
EP-0574413-B1 AQUEOUS TEXTILE AUXILIARY COMPOSITION CIBA GEIGY AG (CH) 1996-06-05 EP disclosed
US-5456847-A Dispersants; wetting agents CIBA-GEIGY CORPORATION (US) 1995-10-10 US disclosed
US-4532277-A Polymer blend containing cellulose ester, ethylene-vinyl acetate copolymer, additional unsaturated polymer, multifunctional vinyl crosslinker BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed