SCHEMBL28413745

SCHEMBL28413745

COc1ccc2c(CC(O)C(=O)O)c[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
HTR2A P28223 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.53
HTR1A P08908 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HTR6 P50406 1/20 0.53
ADRB3 P13945 1/20 0.53
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
TUBB1 Q9H4B7 2/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL24328915 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MTNR1AMTNR1BHTR2AMEN1
SCHEMBL24328927 0.90 KDM4E (0.67) SMN1; SMN2MTNR1AMTNR1BHTR2AMEN1
SCHEMBL28418729 0.90 KDM4E (0.67) SMN1; SMN2MTNR1AMTNR1BHTR2AMEN1
SCHEMBL24328257 0.87 MEN1 (0.58) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL1460676 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL18029114 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL1460679 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL31370348 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL26328524 0.85 MTNR1A (0.55) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL7997808 0.83 HTR2A (0.62) MTNR1AMTNR1BHTR2AMEN1KMT2A

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