SCHEMBL28575852

SCHEMBL28575852

CC(C)(C)c1ccc(Cn2cc(C(=O)Nc3ccccc3C(=O)O)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
NR1H4 Q96RI1 4/20 0.52
PPARG P37231 3/20 0.50
PPARA Q07869 1/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
CHRM1 P11229 2/20 0.48
SERPINE1 P05121 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL28571008 0.90 L3MBTL1 (0.52) SLC22A12L3MBTL1MAPK1NR1H4HDAC1
SCHEMBL28577420 0.89 SLC22A12 (0.72) SLC22A12L3MBTL1MAPK1LMNAHDAC1
SCHEMBL28589812 0.88 SLC22A12 (0.66) SLC22A12L3MBTL1MAPK1LMNAHDAC1
SCHEMBL28589801 0.87 SLC22A12 (0.67) SLC22A12L3MBTL1LMNACNR2CNR1
SCHEMBL4359539 0.87 L3MBTL1 (0.70) L3MBTL1MAPK1LMNACNR2CNR1
SCHEMBL28584701 0.86 SLC22A12 (0.66) SLC22A12L3MBTL1MAPK1LMNAHDAC1
SCHEMBL28914924 0.86 SLC22A12 (0.66) SLC22A12MAPK1LMNACNR2CHRM1
SCHEMBL28584442 0.85 CHRM1 (0.68) SLC22A12L3MBTL1LMNACNR2CNR1
SCHEMBL28577804 0.84 SLC22A12 (0.72) SLC22A12L3MBTL1MAPK1LMNAHDAC1
SCHEMBL28584112 0.81 SLC22A12 (0.58) SLC22A12L3MBTL1MAPK1LMNACNR2

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-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 CN disclosed