SCHEMBL9629052

SCHEMBL9629052

Nc1ccccc1Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MPO P05164 1/20 0.46
TPO P07202 1/20 0.46
EPX P11678 1/20 0.46
LPO P22079 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 3/20 0.44
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.39

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
SCHEMBL16296118 0.85 GAA (0.58) GAARCE1MAPTKDM4ECRHBP
SCHEMBL9266509 0.81 TSHR (0.54) GAARCE1MAPTKDM4ECRHBP
SCHEMBL30379539 0.81 TSHR (0.54) GAARCE1MAPTKDM4ECRHBP
SCHEMBL9645013 0.81 CYP1A2 (0.51) GAARCE1MAPTKDM4ECRHBP
SCHEMBL641111 0.81 CYP2C9 (0.56) GAAMAPTKDM4ECYP1A2CYP2C19
SCHEMBL29508342 0.80 KDM4E (0.65) GAARCE1MAPTKDM4ECRHBP
SCHEMBL30979203 0.80 KDM4E (0.65) GAARCE1MAPTKDM4ECRHBP
SCHEMBL81185 0.80 KDM4E (0.65) GAARCE1MAPTKDM4ECRHBP
SCHEMBL3045884 0.79 SLC6A2 (0.55) GAARCE1MAPTKDM4ECRHBP
Hydrochloric Acid SCHEMBL2884722 0.79 CYP2C9 (0.54) GAAMAPTKDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed