SCHEMBL21607229

SCHEMBL21607229

COC(=O)[C@@H]1OC(c2ccccc2NC(C)=O)O[C@H]1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
ITGA4 P13612 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL13637921 0.81 ALDH1A1 (0.49) TSHRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL21607181 0.77 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL11014972 0.77 ALDH1A1 (0.46) TSHRALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9946131 0.74 ALDH1A1 (0.47) TSHRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3096445 0.73 POLB (0.50) TSHRALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL20712075 0.73 POLB (0.50) TSHRALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL3096440 0.73 POLB (0.50) TSHRALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL2747635 0.73 POLB (0.50) TSHRALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL21607170 0.71 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21597991 0.71 ALDH1A1 (0.44) TSHRALDH1A1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed