SCHEMBL28607397

SCHEMBL28607397

CC(C)c1cccc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1[nH]c(C)c(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
FABP3 P05413 1/20 0.43
TDP2 O95551 7/20 0.40
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
PGR P06401 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
LRRK2 Q5S007 1/20 0.36
PTPN5 P54829 1/20 0.35

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
SCHEMBL28606058 0.90 CRBN (0.53) CRBNFABP7FABP5FABP3TDP2
SCHEMBL28918955 0.84 FABP7 (0.52) CRBNFABP7FABP5FABP3TDP2
SCHEMBL4467581 0.84 CRBN (0.57) CRBNRXRARXRBRXRGFABP7
SCHEMBL28610367 0.82 CYP11B1 (0.56) CRBNFABP7FABP5FABP3TDP2
SCHEMBL28595556 0.81 GRIA1 (0.53) CRBNTDP2PGRGRIA1CACNG8
SCHEMBL29016191 0.74 CRBN (0.54) CRBNFABP7FABP5FABP3TDP2
SCHEMBL24721352 0.74 PGR (0.63) CRBNRXRARXRBRXRGTDP2
SCHEMBL26793104 0.73 KIF11 (0.56) CRBNRXRARXRBRXRGBRD4
SCHEMBL4463670 0.72 KDR (0.60)
SCHEMBL6215696 0.72 CRBN (0.72) CRBNFABP7FABP5FABP3TDP2

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
CN-113181362-A Agent for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2021-07-30 CN disclosed