SCHEMBL28409196

SCHEMBL28409196

Cc1ccc2[nH]cc(CC(O)C(=O)O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HTR2A P28223 2/20 0.52
HTR1D P28221 1/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
BLM P54132 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52

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
SCHEMBL24328359 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MTNR1AMTNR1BHTR2AHTR1D
SCHEMBL28414749 0.89 SMN1; SMN2 (0.65) SMN1; SMN2HTR2AKDM4EMAPTLMNA
SCHEMBL24328923 0.89 SMN1; SMN2 (0.65) SMN1; SMN2HTR2AKDM4EMAPTLMNA
SCHEMBL11942138 0.86 KDM4E (0.68) SMN1; SMN2MTNR1AMTNR1BHTR2AHTR1D
SCHEMBL30406433 0.84 KMT2A (0.73) MTNR1AMTNR1BHTR2AHTR1DKDM4E
SCHEMBL29527694 0.84 KMT2A (0.73) MTNR1AMTNR1BHTR2AHTR1DKDM4E
SCHEMBL7614399 0.84 KMT2A (0.73) MTNR1AMTNR1BHTR2AHTR1DKDM4E
SCHEMBL41266 0.84 KMT2A (0.73) MTNR1AMTNR1BHTR2AHTR1DKDM4E
SCHEMBL21055755 0.84 MTNR1A (0.53) SMN1; SMN2MTNR1AMTNR1BHTR2AHTR1D
SCHEMBL41267 0.84 KMT2A (0.73) MTNR1AMTNR1BHTR2AHTR1DKDM4E

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
CN-111303001-B Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound 苏州爱玛特生物科技有限公司 2022-12-20 CN disclosed
CN-111303001-A Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound 苏州爱玛特生物科技有限公司 2020-06-19 CN disclosed