SCHEMBL24848615

SCHEMBL24848615

CCCC(=O)OCOC(=O)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 3/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
LMNA P02545 1/20 0.45
ELANE P08246 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 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
SCHEMBL2654989 0.83 TSHR (0.47) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL24847363 0.81 TSHR (0.53) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL1569293 0.81 TSHR (0.80) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29535471 0.81 TSHR (0.80) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7879295 0.80 TSHR (0.52) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL1629684 0.80 ALDH1A1 (0.79) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7927977 0.80 TSHR (0.55) TSHRALDH1A1KMT2AMEN1L3MBTL1
O-Xylene SCHEMBL30462319 0.79 CYP4F2 (0.54) TSHRALDH1A1KMT2ACYP3A4LMNA
SCHEMBL27501881 0.79 TSHR (0.77) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7881875 0.78 TSHR (0.50) TSHRALDH1A1KMT2AMEN1L3MBTL1

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