SCHEMBL8214232

SCHEMBL8214232

CCCCCCCCCCC(O)CCC[S+]([O-])CCCC(O)CCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NFKB1 P19838 1/20 0.48
FAAH O00519 1/20 0.41
FDPS P14324 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CA1 P00915 1/20 0.41
PSMD14 O00487 2/20 0.41
PLA2G1B P04054 2/20 0.41
MMP2 P08253 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL28693845 1.00 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11866749 1.00 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL8587590 0.96 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11505351 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11511643 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11504216 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11504605 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL6220054 0.89 NFKB1 (0.50) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL23016874 0.84 GPR84 (0.48) GPR84FFAR1FFAR4NFKB1SPHK1
SCHEMBL865728 0.82 FFAR1 (0.67) GPR84FFAR1FFAR4NFKB1FDPS

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
CN-107548302-A Viscosity building compositions for personal care products 奥麒个人护理产品有限合伙公司 2018-01-05 CN disclosed
CN-101679916-B Mono-di-and polyol phosphate esters in personal care formulations RHODIA 2013-03-20 CN disclosed
CN-101679916-A Mono-di-and polyol phosphate esters in personal care formulations RHODIA 2010-03-24 CN disclosed
US-6040287-A A WATER-IN-OIL EMULSION CONTAINING A CATIONIC OR NONIONIC FABRIC SOFTENER COLGATE-PALMOLIVE CO (US) 2000-03-21 US disclosed
US-4175093-A REACTING AN AROMATIC ALDEHYDE AND AN ACYL HALIDE WITH A CYANIDE, ADDING 1A CARBONATES OR HYDROXIDES TO RESTART SHELL OIL COMPANY (US) 1979-11-20 US disclosed
US-4175094-A REACTING AN AROMATIC ALDEHYDE AND AN ACID ANHYDRIDE SHELL OIL COMPANY (US) 1979-11-20 US disclosed
US-4110361-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, POLYETHER CATALYST SHELL OIL COMPANY (US) 1978-08-29 US disclosed
US-4110360-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE SHELL OIL COMPANY (US) 1978-08-29 US disclosed
US-3976586-A Monoesters derived from ethoxylated higher alcohols and thiodisuccinic acid as detergent builders GAF CORPORATION (US) 1976-08-24 US disclosed