SCHEMBL19252917

SCHEMBL19252917

CC(=O)NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.63
ALDH1A1 P00352 4/20 0.63
BLM P54132 3/20 0.63
KDM4E B2RXH2 3/20 0.63
NFKB1 P19838 3/20 0.63
LMNA P02545 3/20 0.63
CYP3A4 P08684 2/20 0.63
MAPT P10636 2/20 0.63
ALOX15 P16050 2/20 0.63
HTR1A P08908 2/20 0.63
HTR2A P28223 2/20 0.63
HTR2C P28335 2/20 0.63
HTR2B P41595 2/20 0.63
TSHR P16473 2/20 0.63
PMP22 Q01453 2/20 0.63
ADORA3 P0DMS8 1/20 0.63
SLC6A4 P31645 1/20 0.63
HTR7 P34969 1/20 0.63
MTOR P42345 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL3043368 1.00 NPSR1 (0.63) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL27717518 0.95 BLM (0.58) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL3078225 0.95 BLM (0.58) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL27717526 0.90 GAA (0.54) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL3046095 0.90 GAA (0.54) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL6728790 0.90 ALOX15 (0.57) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL6728788 0.90 ALOX15 (0.57) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL10974835 0.89 ALOX15 (0.73) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL10974832 0.89 ALOX15 (0.73) NPSR1ALDH1A1BLMKDM4ENFKB1
SCHEMBL23501891 0.88 NPSR1 (0.60) NPSR1ALDH1A1BLMKDM4ENFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788780-A Synthesis method of N-acetyl-5-methoxytryptamine 河北维达康生物科技有限公司 2021-12-14 CN disclosed
US-20200246465-A1 USE OF TRYPTOPHAN DERIVATIVES FOR PROTEIN FORMULATIONS GENENTECH, INC. (US) 2020-08-06 US disclosed
CN-110916891-A Intelligent cold therapy spectrum control system, control method and cold therapy equipment 王龙 2020-03-27 CN disclosed
US-20170239355-A1 USE OF TRYPTOPHAN DERIVATIVES FOR PROTEIN FORMULATIONS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 US disclosed
CN-101855218-A Synthesizing of deuterated catechol and benzo [d] [1,3] dioxole and derivative thereof CONCERT PHARMACEUTICALS INC 2010-10-06 CN disclosed
CN-101273024-A Novel benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC (US) 2008-09-24 CN disclosed