SCHEMBL11038409

SCHEMBL11038409

CCCCCCCCCCCCCCOc1cccc2ccc(C(=O)O)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.64
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HDAC6 Q9UBN7 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PTPN11 Q06124 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL11036835 1.00 MCHR1 (0.64) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL1000827 1.00 MCHR1 (0.64) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL11038088 1.00 MCHR1 (0.64) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL11041376 0.93 KDM4E (0.55) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL11035922 0.93 KDM4E (0.55) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL11037636 0.92 KDM4E (0.57) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL11040349 0.90 MCHR1 (0.53) MCHR1KMT2AKDM4EMEN1PTPN11
SCHEMBL11040523 0.89 KMT2A (0.57) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL1000877 0.87 MCHR1 (0.61) MCHR1KMT2AKDM4EHDAC6MEN1
SCHEMBL11036571 0.84 MCHR1 (0.47) MCHR1KMT2AKDM4ELMNAMAPT

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-0124577-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-14 EP disclosed
WO-1984001947-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed