SCHEMBL24847364

SCHEMBL24847364

Cc1ccccc1C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRB3 P13945 2/20 0.51
▸ TSHR P16473 4/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ ELANE P08246 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PRTN3 P24158 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL28308961 0.87 TSHR (0.68) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL24847363 0.81 TSHR (0.53) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL19631454 0.80 TSHR (0.41) TSHRL3MBTL1ALDH1A1ELANEHSD17B10
SCHEMBL30131119 0.80 TSHR (0.41) TSHRL3MBTL1ALDH1A1ELANEHSD17B10
SCHEMBL7879295 0.80 TSHR (0.52) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL28735227 0.80 NPC1 (0.49) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL7927977 0.80 TSHR (0.55) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL18862636 0.78 MAPK1 (0.55) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL24848615 0.77 TSHR (0.53) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL1569293 0.77 TSHR (0.80) ADRB2ADRB1ADRB3TSHRMEN1

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-2023274246-A1 AMIDE COMPOUND AND USE THEREOF 成都分迪药业有限公司 2023-01-05 — — WO disclosed
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