SCHEMBL8927749

SCHEMBL8927749

CC(S)C(=O)O.c1cc2cc-2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.46
PTGS2 P35354 5/20 0.45
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL3478959 0.86 KMO (0.50) KMORXRARXRBRXRGPTGS2
Lactic Acid SCHEMBL3962098 0.84 TP53 (0.52) KMORXRARXRBRXRGPTGS2
Alanine SCHEMBL4261908 0.82 TAAR1 (0.47) KMORXRARXRBRXRGPTGS2
SCHEMBL8927699 0.78 PTGS1 (0.37) PTGS2MMEACECPA1ACE2
SCHEMBL29152365 0.78 PTGS2 (0.50) KMORXRARXRBRXRGPTGS2
SCHEMBL27652732 0.78 KMO (0.52) KMORXRARXRBRXRGPTGS2
Acetic Acid SCHEMBL734741 0.78 KMO (0.56) KMORXRARXRBRXRGGAA
Benzene SCHEMBL28772928 0.78 KMO (0.56) KMORXRARXRBRXRGGAA
Bicarbonate SCHEMBL11165825 0.77 KMO (0.61) KMORXRARXRBCYP2C9ACMSD
SCHEMBL28677008 0.77 PTGS2 (0.53) KMORXRARXRBRXRGPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614571-A Stabilizer blend containing phosphite GENERAL ELECTRIC COMPANY (US) 1997-03-25 US disclosed
US-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed
US-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed
US-4064100-A HEAT AND LIGHT STABILIZERS FOR POLYMERS, CONTAINERS FOR FOOD WESTON CHEMICAL CO., INC. (US) 1977-12-20 US disclosed
US-4012399-A ULTRAVIOLET LIGHT ABSORBERS AND STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-03-15 US disclosed
US-4000101-A POLYPROPYLENE WESTON CHEMICAL CORPORATION (US) 1976-12-28 US disclosed
US-3959220-A Polymer additives comprising transition metal complexes with trivalent phosphorous compounds CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-05-25 US disclosed