SCHEMBL7759512

SCHEMBL7759512

COc1cc2[nH]cc(CC(N)C(=O)O)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
BLM P54132 3/20 0.61
LMNA P02545 3/20 0.61
HTR1A P08908 3/20 0.61
HTR2A P28223 3/20 0.61
HTR2C P28335 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
CYP3A4 P08684 3/20 0.61
NFKB1 P19838 3/20 0.61
MAPT P10636 2/20 0.61
TSHR P16473 2/20 0.61
PMP22 Q01453 2/20 0.61
HSD17B10 Q99714 2/20 0.61
SLC6A4 P31645 2/20 0.61
ALDH1A1 P00352 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
ALOX15 P16050 1/20 0.61
HTR7 P34969 1/20 0.61

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
SCHEMBL7759517 1.00 HTR2B (0.61) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL16645257 0.88 MTNR1A (0.57) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL19068552 0.88 MTNR1A (0.57) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL25026685 0.83 KMT2A (0.64) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL18029115 0.83 HTR2B (0.70) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL122601 0.83 HTR2B (0.70) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL2330863 0.83 HTR2B (0.70) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL1421284 0.83 HTR2B (0.70) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL122600 0.83 HTR2B (0.70) HTR2BKMT2AKDM4EBLMLMNA
SCHEMBL18029114 0.83 KMT2A (0.61) HTR2BKMT2AKDM4EBLMLMNA

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-1101823-A2 Process for the preparation of indigo derivatives and dyes for ceratinous fibers containing the same Wella Aktiengesellschaft (DE) 2001-05-23 EP disclosed