SCHEMBL10693344

SCHEMBL10693344

CC(Oc1ccccc1S)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 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
Acetaldehyde SCHEMBL10651979 0.93 KMT2A (0.60) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL11587287 0.82 KMT2A (0.76) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL31069134 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL8468151 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL830741 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL5721832 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL31002548 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL8935823 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL1981423 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL12310141 0.81 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753673-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-28 US disclosed
US-4628099-A INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1986-12-09 US disclosed
US-4551170-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-11-05 US disclosed
US-4536208-A Certain naphthyridine diether compounds and their herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-20 US disclosed
US-4533381-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-06 US disclosed
US-4523017-A REACTING CHLORIDE SUBSTITUTED PYRIDINE COMPOUND WITH SUBSTITUTED PHENOL COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-06-11 US disclosed
US-4491468-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanenitriles and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-01 US disclosed
US-4479001-A Trifluoromethyl pyridinylthiophenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1984-10-23 US disclosed
US-4472193-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1984-09-18 US disclosed
EP-0000483-B1 TRIFLUOROMETHYL PYRIDINYL(OXY/THIO)PHENOXY PROPANOIC ACIDS AND PROPANOLS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 1981-10-14 EP disclosed
US-4236912-A Quinolinyloxyphenoxy and quinolyinylthiophenoxy alkanoic acids and derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1980-12-02 US disclosed
EP-0000483-A1 Trifluoromethyl pyridinyl(oxy/thio)phenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1979-02-07 EP disclosed