SCHEMBL29259352

SCHEMBL29259352

CCC(Oc1ccccc1)C(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 2/20 0.59
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.49
THRB P10828 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
SCHEMBL7787176 0.85 ALDH1A1 (0.61) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL14437333 0.85 ALDH1A1 (0.61) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL11868402 0.84 PPARG (0.57) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL6763614 0.84 PPARA (0.49) ALDH1A1TSHR
SCHEMBL1433697 0.81 ALDH1A1 (0.52) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL17225280 0.81 SLC1A3 (0.46) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL10361229 0.80 ALDH1A1 (0.59) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL4651839 0.80 SMN1; SMN2 (0.64) ALDH1A1TSHR
SCHEMBL295888 0.80 SMN1; SMN2 (0.64) ALDH1A1TSHR
SCHEMBL10383095 0.80 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063343-A Hydrazino phenoxyacetic acid ethyl ester alpha-glucosidase inhibitor and preparation method and application thereof 上海应用技术大学 2024-05-24 CN claimed
CN-118063343-A Hydrazino phenoxyacetic acid ethyl ester alpha-glucosidase inhibitor and preparation method and application thereof 上海应用技术大学 2024-05-24 CN disclosed
CN-118063343-A Hydrazino phenoxyacetic acid ethyl ester alpha-glucosidase inhibitor and preparation method and application thereof 上海应用技术大学 2024-05-24 CN disclosed
CN-118063343-A Hydrazino phenoxyacetic acid ethyl ester alpha-glucosidase inhibitor and preparation method and application thereof 上海应用技术大学 2024-05-24 CN disclosed