SCHEMBL10875396

SCHEMBL10875396

CC(Oc1ccccc1)C(O)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11669441 0.83 POLB (0.47) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL1701448 0.81 POLB (0.54) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL14608408 0.77 GAA (0.50) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL127395 0.77 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL473828 0.77 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
Benzene SCHEMBL27779381 0.77 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL43054 0.77 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL11501184 0.77 SMN1; SMN2 (0.42) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL8691488 0.76 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL1961683 0.76 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19

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-107428759-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2020-11-27 CN disclosed
CN-107428764-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2020-09-11 CN disclosed
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
EP-0204231-A2 Process for the preparation of optically active phenoxythiopropionic-acid derivatives, and intermediates for their preparation BAYER AG (DE) 1986-12-10 EP disclosed
EP-0204231-A2 Process for the preparation of optically active phenoxythiopropionic-acid derivatives, and intermediates for their preparation BAYER AG (DE) 1986-12-10 EP disclosed
US-4233060-A α-Phenoxy-thiolpropionic acids CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4233060-A α-Phenoxy-thiolpropionic acids CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4233060-A α-Phenoxy-thiolpropionic acids CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
EP-0002204-A1 Alpha-phenoxy-propanethioic acids and salts, their preparation and their use as herbicides or intermediates CIBA-GEIGY AG (CH) 1979-06-13 EP disclosed