SCHEMBL11279977

SCHEMBL11279977

CCOCc1c(-c2ccccc2)n[nH]c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HPGDS O60760 1/20 0.44
TTK P33981 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
AKT2 P31751 2/20 0.41
CHEK1 O14757 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL17055639 0.82 PDE4A (0.48) CNR1CNR2GPR55HPGDSTTK
SCHEMBL20654206 0.79 PDE4A (0.46) CNR1CNR2GPR55HPGDSTTK
SCHEMBL28319223 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DAKT2
SCHEMBL8515102 0.73 RAB9A (0.49) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL12985200 0.71 RAB9A (0.50) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL11622606 0.70 AKT2 (0.53) TTKAKT2CHEK1L3MBTL1KMT2A
SCHEMBL1127274 0.70 HTT (0.44) CNR1CNR2GPR55PDE4APDE4B
SCHEMBL9609104 0.70 RAB9A (0.43) CNR1CNR2GPR55HPGDSPDE4A
SCHEMBL11269746 0.70 HPGDS (0.61) HPGDSPDE4DKMT2AMEN1MAPK1
SCHEMBL22828394 0.70 ALDH1A1 (0.42) HPGDSKMT2ASMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019760-B1 ESTERS OF 3-ARYL-5-METHYL-PYRAZOLE-4-CARBOXYLIC ACID, HERBICIDES CONTAINING THEM, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1982-06-23 EP claimed