SCHEMBL28409765

SCHEMBL28409765

COc1cccc2[nH]cc(CC(O)C(=O)O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
HTR2A P28223 3/20 0.56
HTR6 P50406 2/20 0.53
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
DRD4 P21917 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL24328917 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MTNR1AMTNR1BHTR2AHTR6
SCHEMBL6775637 0.88 MTNR1A (0.59) SMN1; SMN2MTNR1AMTNR1BHTR2AHTR6
SCHEMBL24328893 0.87 MTNR1A (0.57) SMN1; SMN2MTNR1AMTNR1BHTR2AHTR6
SCHEMBL1461062 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6DRD2
SCHEMBL1461064 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6DRD2
SCHEMBL29809866 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6DRD2
SCHEMBL2013303 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6DRD2
SCHEMBL18029216 0.86 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6DRD2
SCHEMBL24328360 0.82 SMN1; SMN2 (0.61) SMN1; SMN2HTR2AKDM4EMAPTAPAF1
SCHEMBL28409195 0.82 SMN1; SMN2 (0.61) SMN1; SMN2HTR2AKDM4EMAPTAPAF1

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