SCHEMBL7747690

SCHEMBL7747690

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
CA1 P00915 2/20 0.40
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL98813 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL7752126 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL97487 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL7751708 0.92 FFAR1 (0.42) BLMFFAR1FFAR4
SCHEMBL7752153 0.90 KDM4C (0.34) HSPD1BLMHSPE1CA1FFAR1
SCHEMBL3374615 0.89 CA2 (0.45) CA2CA1GPR84ACE2
SCHEMBL3338797 0.88 TSHR (0.33) CA1
SCHEMBL1007055 0.86 FFAR4 (0.42) CA2CA1GPR84FFAR1FFAR4
SCHEMBL7885777 0.84 FFAR4 (0.47) GPR84FFAR1FFAR4
SCHEMBL10423885 0.84 HSPD1 (0.31) CA2HSPD1BLMHSPE1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001039735-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-07 WO disclosed
WO-2000064411-A1 CONDITIONING SHAMPOO COMPOSITIONS VENKATESWARAN, ANANTHANARYAN 2000-11-02 WO disclosed
WO-2000064410-A1 CONDITIONING SHAMPOO COMPOSITIONS OHTSU, KUMIKO 2000-11-02 WO disclosed
WO-2000040213-A1 HAIR CONDITIONING LAYERED GEL COMPOSITION CONTAINING A HIGH MELTING POINT COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO disclosed
WO-1999062492-A1 HAIR CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-12-09 WO disclosed
WO-1999024013-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-20 WO disclosed
WO-1999013835-A1 CONDITIONING SHAMPOO COMPOSITION COMPRISING HIGH MOLECULAR WEIGHT ESTER OIL THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed
US-5753216-A CONSISTS OF SILICON MACROMOMER CONTAINING COPOLYMER COVALENTLY BONDED TO A NONSILICONE ORGANIC POLYMER BACKBONE, A VOLATILE SILICON SOLVENT TO SOLUBILIZE OR DISPERSE THE COPOLYMER, AND A NONVOLATILE PLASTICIZER THE PROCTER & GAMBLE COMPANY (US) 1998-05-19 US disclosed
CN-1035920-C Vehicle systems for use in cosmetic compositions PROCTER & GAMBLE (US) 1997-09-24 CN disclosed
US-5432224-A Metallic, ceramic powder or organic binder SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-11 US disclosed
CN-1066383-A Haircare composition with styling/conditioning and flexibilizer PROCTER & GAMBLE (US) 1992-11-25 CN disclosed
WO-1992016179-A2 HAIR CARE COMPOSITIONS HAVING STYLING/CONDITIONING AGENT AND PLASTICIZER THE PROCTER & GAMBLE COMPANY (US) 1992-10-01 WO disclosed
US-5106609-A Hydrophobically modified nonionic water soluble polymer, water insoluble surfactant, compatible solvent THE PROCTER & GAMBLE COMPANY (US) 1992-04-21 US disclosed
US-5100657-A Cellulose ether thickeners, surfactants, silicone and fatty alcohol conditioners THE PROCTER & GAMBLE COMPANY (US) 1992-03-31 US disclosed
WO-1991016878-A1 CLEAN CONDITIONING COMPOSITIONS FOR HAIR THE PROCTER & GAMBLE COMPANY (US) 1991-11-14 WO disclosed
CN-1056051-A The vehicle system that is used for cosmetic composition PROCTER & GAMBLE (US) 1991-11-13 CN disclosed
CN-1056050-A CLEAN CONDITIONING COMPOSITIONS FOR HAIR PROCTER & GAMBLE (US) 1991-11-13 CN disclosed
EP-0441607-A2 Mouldable composition SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-08-14 EP disclosed
EP-0412710-A2 Vehicle systems for use in cosmetic compositions THE PROCTER & GAMBLE COMPANY (US) 1991-02-13 EP disclosed
EP-0329475-A2 Mouldable composition SANYO CHEMICAL INDUSTRIES LTD. (JP) 1989-08-23 EP disclosed