SCHEMBL11830281

SCHEMBL11830281

CC(C(=O)O)C(O)Cc1ccc(-c2ccccc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ PTGS1 P23219 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ FABP2 P12104 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL11830736 0.85 ALDH1A1 (0.43) PPARGPPARAKMT2AMMEACE
SCHEMBL11835452 0.84 CD274 (0.43) CD274PDCD1PPARGPPARAPTGS1
SCHEMBL11834506 0.84 CSNK2A1 (0.50) CD274PPARGPPARA
SCHEMBL11823672 0.80 PDCD1 (0.43) CD274PDCD1KMT2AMEN1PTGS2
SCHEMBL11835446 0.78 MMP12 (0.49) CD274PDCD1PPARGPPARAFOLH1
SCHEMBL11830311 0.75 MMP12 (0.42) CD274PDCD1KMT2AMMEACE
SCHEMBL11830862 0.74 ALDH1A1 (0.39) CD274PDCD1PPARGPPARAFOLH1
SCHEMBL11829707 0.74 ABCC4 (0.39) CD274PDCD1PTGS1TSHRLMNA
SCHEMBL11830972 0.74 MME (0.50) PPARGPPARAKMT2AMEN1CYP2C19
SCHEMBL11838658 0.74 MME (0.47) PPARGPPARAKMT2AMEN1MME

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
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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