SCHEMBL5716643

SCHEMBL5716643

CCSC(C)CNC(=O)c1cccc(OS(C)(=O)=O)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
POLB P06746 1/20 0.36
HCRTR1 O43613 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PTPN1 P18031 1/20 0.33
MRGPRX1 Q96LB2 3/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
ADORA2A P29274 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL5716646 0.89 KCNA3 (0.40) KCNA3POLBHCRTR1NPC1RAB9A
SCHEMBL3377865 0.86 POLB (0.48) KCNA3POLBNPC1RAB9AKDM4E
SCHEMBL3377283 0.80 HCRTR1 (0.45) POLBHCRTR1KDM4EPTPN1HPGD
SCHEMBL3375839 0.80 ALDH1A1 (0.45) HCRTR1NPC1RAB9AKDM4EHPGD
SCHEMBL3377828 0.79 MEN1 (0.51) RAB9AKDM4EHPGDALDH1A1MAPK1
SCHEMBL5716651 0.79 RAB9A (0.38) KCNA3POLBNPC1RAB9AKDM4E
SCHEMBL5716638 0.79 NPC1 (0.49) NPC1RAB9AKDM4ETAAR1HPGD
SCHEMBL5716637 0.79 NPC1 (0.38) KCNA3POLBNPC1RAB9AKDM4E
SCHEMBL551925 0.79 ALDH1A1 (0.42) POLBKDM4EMRGPRX1HPGDALDH1A1
SCHEMBL3376166 0.78 TSHR (0.54) HCRTR1KDM4EPTPN1HPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed