SCHEMBL11830261

SCHEMBL11830261

CC(=O)SC(CCC(=O)O)c1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 2/20 0.37
▸ PRKAA2 P54646 2/20 0.37
▸ PRKAB1 Q9Y478 2/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ PTGS1 P23219 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ FABP2 P12104 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 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
SCHEMBL11824491 0.86 MME (0.44) AKR1C3AKR1C2FFAR1
SCHEMBL11827012 0.83 PTGS2 (0.41) CSNK2A1PTGS1MEN1KMT2APTGS2
SCHEMBL11825640 0.82 FFAR1 (0.44) PTGS2LMNAMAPTCYP1A2HIF1A
SCHEMBL11870223 0.81 PTGS1 (0.43) PRKAG1PRKAA2PRKAB1CSNK2A1PTGS1
SCHEMBL11830155 0.79 PRKAG1 (0.44) PRKAG1PRKAA2PRKAB1CSNK2A1PTGS1
SCHEMBL11758920 0.79 CSNK2A1 (0.42) PRKAG1PRKAA2PRKAB1CSNK2A1PTGS1
SCHEMBL11824177 0.78 KMO (0.39) PTGS1PTGS2LMNATSHRAKR1C3
SCHEMBL11822909 0.74 PTGDR2 (0.41) LMNA
SCHEMBL11824498 0.73 CDC25A (0.37) HPGDAKR1C3AKR1C2CYP2C19FFAR1
SCHEMBL11867114 0.72 FFAR1 (0.50) CSNK2A1PTGS1MEN1KMT2APTGS2

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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