SCHEMBL6250352

SCHEMBL6250352

CCCOc1c(B(O)O)cccc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.38
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
LIPE Q05469 1/20 0.33
GAA P10253 1/20 0.33
TLR4 O00206 1/20 0.32
LPL P06858 1/20 0.32
LTA4H P09960 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ENPP2 Q13822 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN11 Q06124 1/20 0.32
GSTA1 P08263 1/20 0.32
GSTP1 P09211 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL3784042 0.79 CHRM2 (0.46) LIPGLIPEFFAR4ENPP2TSHR
SCHEMBL3314900 0.78 ALDH1A1 (0.39) LIPGALDH1A1KMT2AKDM4EMAPT
SCHEMBL3789584 0.78 CYP1A2 (0.40) LIPGALDH1A1KMT2AKDM4EMAPT
SCHEMBL1991553 0.72 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMAPTTSHR
SCHEMBL3786211 0.71 CYP1A2 (0.47) LIPGALDH1A1KMT2AMAPTLIPE
Ammonia Solution, Strong SCHEMBL8858388 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMAPTTSHR
SCHEMBL3982711 0.70 KDM4E (0.45) LIPGALDH1A1KMT2AKDM4EMAPT
SCHEMBL9751833 0.70 SCN8A (0.41) LIPGALDH1A1KMT2ALTA4HMEN1
SCHEMBL3781870 0.70 CYP1A2 (0.50) LIPGALDH1A1KDM4EGAATLR4
SCHEMBL3316363 0.70 THRA (0.42) LIPGALDH1A1KMT2AKDM4ELPL

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-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed