SCHEMBL29016191

SCHEMBL29016191

Cc1[nH]c(C(=O)O)c(C)c1C(=O)c1ccccc1.O=C1Cc2ccc(-c3ccccc3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.54
TDP2 O95551 5/20 0.45
FABP7 O15540 2/20 0.45
FABP5 Q01469 2/20 0.45
FABP3 P05413 1/20 0.45
GRIA1 P42261 3/20 0.38
CACNG8 Q8WXS5 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD2 Q9HC29 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PGR P06401 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
Oxindole SCHEMBL28593104 0.88 AHR (0.50) CRBNGRIA1CACNG8BRD4CREBBP
SCHEMBL28606058 0.83 CRBN (0.53) CRBNTDP2FABP7FABP5FABP3
SCHEMBL28606054 0.82 AHR (0.40) TDP2GRIA1CACNG8CREBBPLMNA
SCHEMBL29016211 0.79 CRBN (0.53) CRBNTDP2FABP7FABP5FABP3
SCHEMBL4471265 0.77 RAB9A (0.51) CREBBPKDM4EALDH1A1LMNAMAPT
SCHEMBL6215696 0.76 CRBN (0.72) CRBNTDP2FABP7FABP5FABP3
SCHEMBL4408889 0.76 TDP2 (0.65) CRBNTDP2FABP7FABP5FABP3
SCHEMBL29016225 0.75 CRBN (0.54) CRBNTDP2FABP7FABP5FABP3
SCHEMBL28595556 0.74 GRIA1 (0.53) CRBNTDP2GRIA1CACNG8PGR
SCHEMBL28610367 0.74 CYP11B1 (0.56) CRBNTDP2FABP7FABP5FABP3

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-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed