SCHEMBL8575856

SCHEMBL8575856

COc1ccc2[nH]c(C)c(C(Cc3ccccc3)C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.53
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL6102227 0.85 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6102218 0.82 MAPT (0.49) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8578425 0.82 AKR1C2 (0.54) AKR1C2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4211050 0.81 KIF11 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6425667 0.81 MTNR1A (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6423153 0.81 CTSV (0.47) ALDH1A1HSD17B10MAPTPPARGPPARA
SCHEMBL5270294 0.79 AKR1C2 (0.58) AKR1C2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8891258 0.78 AKR1C2 (0.45) AKR1C2MEN1KMT2AALDH1A1KDM4E
SCHEMBL11615249 0.77 AKR1C2 (0.48) AKR1C2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6425282 0.76 MRGPRX4 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT

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
US-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 — — US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 — — EP disclosed
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