SCHEMBL1001811

SCHEMBL1001811

C=CC(=O)NC(C)(C)C(O)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TGM2 P21980 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1702497 0.83 TSHR (0.38) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4637933 0.81 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8524798 0.80 TSHR (0.35) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18107148 0.79 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL8523447 0.79 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21439808 0.76 TSHR (0.46) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8374242 0.76 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28537993 0.75 ALDH1A1 (0.35) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
Sulfuric Acid SCHEMBL2213085 0.74 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL174734 0.74 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814575-B1 CONDITIONING COMPOSITION ADDITIVE FOR PROVIDING IMMEDIATE AND LONG LASTING BENEFITS TO KERATIN SUBSTRATES HERCULES LLC (US) 2018-04-11 EP disclosed
US-RE42127-E1 applying to the hair or skin a treatment solution containing a copolymer of monomers of (meth)acrylamidopropyl trimethylammonium chloride, (meth)acrylic acid, 2-(meth)acrylamido-2-methylpropane sulfonic acid and methyl acrylate; shampoo, bar soap, sunscreen agent, shaving cream NALCO COMPANY (US) 2011-02-08 US disclosed
US-RE42025-E1 Ampholyte polymers for use in personal care products NALCO COMPANY (US) 2011-01-11 US disclosed
EP-1021471-B1 AMPHOLYTE POLYMERS FOR USE IN PERSONAL CARE PRODUCTS CALGON CORP (US) 2007-08-29 EP disclosed
CN-1285852-A Ampholyte polymers for use in personal care products CALGON CORP (US) 2001-02-28 CN disclosed
US-6066315-A HAIR CONDITIONING POLYMERS CONTAINING (METH)ACRYLAMIDOPROPYLTRIMETHYL AMMONIUM CHLORIDE, METH(ACRYLIC ACID) AND A C1-22 ALKYL (METH)ACRYLATE CALGON CORPORATION (US) 2000-05-23 US disclosed
US-5879670-A TREATMENT OF A KERATIN-CONTAINING SUBSTRATE CALGON CORPORATION (US) 1999-03-09 US disclosed