SCHEMBL27602809

SCHEMBL27602809

C[C](C)Cn1ccc2cc(CC(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ PTGS1 P23219 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ PPARD Q03181 4/20 0.42
▸ PPARA Q07869 4/20 0.42
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ PPARG P37231 3/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ NTSR1 P30989 3/20 0.40

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
SCHEMBL10716531 0.79 NOTUM (0.51) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL12320222 0.79 KMT2A (0.57) MAPTAKR1C3AKR1C2KMT2APPARD
SCHEMBL5094204 0.78 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL4228624 0.77 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL9191040 0.76 KMT2A (0.57) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL4233570 0.75 ALDH1A1 (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL27872943 0.74 KMT2A (0.41) KDM4EALDH1A1KMT2AHDAC8HDAC6
SCHEMBL4240678 0.74 ESRRG (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL20424510 0.74 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28143318 0.73 HTR2A (0.58) KMT2ANTSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 — — CN disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 — — CN disclosed
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 — — CN disclosed
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