SCHEMBL30406433

SCHEMBL30406433

Cc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
BLM P54132 3/20 0.73
HTR2A P28223 3/20 0.73
KDM4E B2RXH2 2/20 0.73
LMNA P02545 2/20 0.73
MAPT P10636 2/20 0.73
TSHR P16473 2/20 0.73
PMP22 Q01453 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
HTR1A P08908 2/20 0.73
NFKB1 P19838 2/20 0.73
HTR2C P28335 2/20 0.73
HTR2B P41595 2/20 0.73
ALDH1A1 P00352 1/20 0.73
CYP3A4 P08684 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
ALOX15 P16050 1/20 0.73
SLC6A4 P31645 1/20 0.73
HTR7 P34969 1/20 0.73
MTOR P42345 1/20 0.73

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
SCHEMBL29527694 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL41267 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL7614399 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL41266 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL18029004 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
Water SCHEMBL8346726 0.99 KMT2A (0.71) KMT2ABLMHTR2AKDM4ELMNA
Tryptophan SCHEMBL18301515 0.94 KDM4E (0.78) KMT2ABLMHTR2AKDM4ELMNA
Dl-Tryptophan SCHEMBL18301512 0.94 KDM4E (0.78) KMT2ABLMHTR2AKDM4ELMNA
Dl-Tryptophan SCHEMBL28762527 0.94 KDM4E (0.78) KMT2ABLMHTR2AKDM4ELMNA
Tryptophan SCHEMBL28762526 0.94 KDM4E (0.78) KMT2ABLMHTR2AKDM4ELMNA

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
US-20240200049-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2024-06-20 US disclosed
US-11649446-B2 Compositions and methods of use thereof for making polypeptides with many instances of nonstandard amino acids YALE UNIVERSITY (US) 2023-05-16 US disclosed