SCHEMBL29082255

SCHEMBL29082255

Cc1ccc(OC(=O)CC(C(=O)Oc2ccc(C)cc2)S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
ESR1 P03372 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29082640 0.97 KMT2A (0.49) KMT2ALMNAGAAALDH1A1L3MBTL1
SCHEMBL7972963 0.84 ATM (0.41) KMT2AALDH1A1L3MBTL1TDP1MAPT
SCHEMBL1592207 0.83 ATM (0.41) KMT2AALDH1A1L3MBTL1TDP1MAPT
SCHEMBL28036279 0.79 THRB (0.51) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL28245693 0.78 PIN1 (0.45) KMT2ALMNAGAAALDH1A1L3MBTL1
SCHEMBL28969199 0.78 LMNA (0.49) KMT2ALMNAGAAALDH1A1L3MBTL1
SCHEMBL15048642 0.77 SMN1; SMN2 (0.41) KMT2ALMNAALDH1A1L3MBTL1TDP1
SCHEMBL8986321 0.77 THRB (0.52) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL28245135 0.76 KMT2A (0.43) KMT2ALMNAALDH1A1L3MBTL1HTT
SCHEMBL1532609 0.75 LMNA (0.53) KMT2ALMNAGAAALDH1A1L3MBTL1

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-118043029-A Foaming composition 莱雅公司 2024-05-14 CN disclosed
CN-116419743-A Composition for conditioning and/or dyeing keratin fibres 莱雅公司 2023-07-11 CN disclosed