SCHEMBL9657902

SCHEMBL9657902

C=CCOC(=O)C(O)CO.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
OR51E2 Q9H255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
SNCA P37840 1/20 0.30
MEN1 O00255 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
SCHEMBL9237824 0.98 CYP3A4 (0.39) CYP3A4OR51E2TDP1TSHRMAPT
SCHEMBL170054 0.98 CYP3A4 (0.39) CYP3A4OR51E2TDP1TSHRMAPT
SCHEMBL291912 0.96 CYP3A4 (0.38) CYP3A4OR51E2TDP1TSHRMAPT
Ethylene SCHEMBL9476623 0.94 CYP3A4 (0.37) CYP3A4OR51E2TDP1TSHRMAPT
Alcohol SCHEMBL10342368 0.92 TSHR (0.42) CYP3A4OR51E2TDP1TSHRMAPT
SCHEMBL3854259 0.88 CYP3A4 (0.40) CYP3A4OR51E2TDP1TSHRMAPT
Ether SCHEMBL6862110 0.87 TDP1 (0.39) CYP3A4OR51E2TDP1TSHRMAPT
SCHEMBL770455 0.80 TSHR (0.41) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL7392048 0.78 MAPT (0.40) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL9635138 0.78 TSHR (0.44) CYP3A4TDP1TSHRMAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4170678-A Multiple use article for conditioning fabrics in a clothes dryer A. E. STALEY MANUFACTURING COMPANY (US) 1979-10-09 US claimed
US-5173200-A Low-solvent gelled dryer-added fabric softener sheet CREATIVE PRODUCTS RESOURCE ASSOCIATES, LTD. (US) 1992-12-22 US disclosed
US-4552777-A Carpet treating compositions containing a polysiloxane to reduce caking AIRWICK INDUSTRIES, INC. (US) 1985-11-12 US disclosed
US-4395347-A WITH BORAX CARRIER AND SURFACTANT AIRWICK INDUSTRIES, INC. (US) 1983-07-26 US disclosed
US-4255484-A CATIONIC AND NONIONIC SURFACTANTS, ESTERS OF HYDROGENATED TALLOW ACIDS, AND ETHOXYLATED, PROPOXYLATED GLYCEROL A. E. STALEY MANUFACTURING COMPANY (US) 1981-03-10 US disclosed
US-4180470-A WEAR RESISTANCE LEVER BROTHERS COMPANY (US) 1979-12-25 US disclosed
US-4170678-A Multiple use article for conditioning fabrics in a clothes dryer A. E. STALEY MANUFACTURING COMPANY (US) 1979-10-09 US disclosed
US-4161449-A DEODORIZING AIRWICK INDUSTRIES, INC. (US) 1979-07-17 US disclosed
US-3936538-A Polymeric film dryer-added fabric softening compositions CALGON CONSUMER PRODUCTS COMPANY INC. (US) 1976-02-03 US disclosed