SCHEMBL99789

SCHEMBL99789

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCS(=O)(=O)O)C(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA1 P00915 2/20 0.36
TP53 P04637 1/20 0.36
S1PR1 P21453 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR3 Q99500 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GRK2 P25098 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL98039 0.94 CA2 (0.37) CA2CA1TP53S1PR1GPR84
SCHEMBL9188125 0.94 CA2 (0.37) CA2CA1TP53S1PR1GPR84
SCHEMBL8983862 0.94 CA2 (0.37) CA2CA1TP53S1PR1GPR84
SCHEMBL3829582 0.93 CA2 (0.36) CA2CA1TP53S1PR1GPR84
SCHEMBL1007055 0.82 FFAR4 (0.42) CA2CA1GPR84MEN1KMT2A
SCHEMBL16535930 0.80 TP53 (0.40) CA2CA1TP53S1PR1S1PR2
SCHEMBL16535757 0.80 TP53 (0.40) CA2CA1TP53S1PR1S1PR2
SCHEMBL7885777 0.80 FFAR4 (0.47) GPR84MEN1KMT2A
SCHEMBL98813 0.79 CA2 (0.41) CA2CA1GPR84ACE2
SCHEMBL97487 0.79 CA2 (0.41) CA2CA1GPR84ACE2

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

Appears in 2738 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338324-A1 METHOD FOR TREATING RHEUMATOID ARTHRITIS THE WILLIAM M YARBROUGH FOUNDATION 2023-10-26 US claimed
US-20230263763-A1 METHOD FOR TREATING INFECTIOUS DISEASES WITH ISOTHIOCYANATE FUNCTIONAL COMPOUNDS THE WILLIAM M YARBROUGH FOUNDATION 2023-08-24 US claimed
US-20230255920-A1 METHOD FOR TREATING METASTATIC PROSTATE CANCER THE WILLIAM M YARBROUGH FOUNDATION 2023-08-17 US claimed
EP-3145481-B1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2023-04-19 EP claimed
WO-2021252379-A1 NOVEL FIRE FIGHTING FOAM SYSTEMS AND METHODS FOR MAKING AND USING SAME ENVIROCOOL LP LLC (US) 2021-12-16 WO claimed
WO-2018148612-A1 COMPOSITIONS CONTAINING A FLEXIBLE DERIVED CAPSULE WITH AN ACTIVE AGENT CoLabs International Corporation (US) 2018-08-16 WO claimed
EP-3145481-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS Rhodia Operations (FR) 2017-03-29 EP claimed
US-20160262377-A1 POLYMER COMPOSITIONS RHODIA OPERATIONS (FR) 2016-09-15 US claimed
US-20150335555-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-11-26 US claimed
WO-2015179599-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-11-26 WO claimed
US-6939536-B2 Cosmetic compositions containing water-soluble polymer complexes WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-09-06 US claimed
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-04-07 US claimed
US-20030064044-A1 Cosmetic compositions containing water-soluble polymer complexes CHEMLOGICS GROUP, LLC 2003-04-03 US claimed
WO-2002083073-A2 COSMETIC COMPOSITIONS CONTAINING WATER-SOLUBLE POLYMER COMPLEXES WSP CHEMICAL & TECHNOLOGY LLC (US) 2002-10-24 WO claimed
US-20020107156-A1 Cleansing compositions PROCTER & GAMBLE COMPANY, THE 2002-08-08 US claimed
US-6197837-B1 Method for fluidizing tars RHODIA INC. 2001-03-06 US claimed
EP-1046390-A1 Compositions and methods for cleaning and removing contaminants from hair Calgon Corporation (US) 2000-10-25 EP claimed
US-5925604-A SHAMPOO OR BEAUTY SOAPS THAT ADD LUSTER AND SHEEN FROM EMULSIFIERS AND SURFACTANTS RHODIA INC. (US) 1999-07-20 US claimed
US-5646106-A MIXTURE OF EMULSIFIER, AMPHOTERIC SURFACTANT, NONIONIC ALCOHOL ETHOXYLATE, AND ALKYL OR ALKYL ETHER SULFATE; SHAMPOO, SOAP RHONE-POULENC SPECIALTY CHEMICALS ASIA PACIFIC PTE LTD 1997-07-08 US claimed
WO-1996021424-A2 MILD COLD PEARLIZING CONCENTRATES RHONE-POULENC INC. (US) 1996-07-18 WO claimed