SCHEMBL11824491

SCHEMBL11824491

CC(=O)SC(CCC(=O)O)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.44
▸ CYP2A6 P11509 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ LTB4R Q15722 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL11830261 0.86 PRKAG1 (0.37) FFAR1AKR1C3AKR1C2
SCHEMBL11825640 0.85 FFAR1 (0.44) MMEFFAR1
SCHEMBL11821679 0.85 MME (0.40) MMECYP2A6DHODHHCAR2DPP4
SCHEMBL11824498 0.82 CDC25A (0.37) MMERXRARXRBNR4A2FFAR1
SCHEMBL11827349 0.79 MME (0.49) MMECYP2A6HCAR2RXRARXRB
SCHEMBL11760088 0.79 MME (0.49) MMECYP2A6HCAR2DPP4DPP7
SCHEMBL11840116 0.78 CYP2A6 (0.44) MMECYP2A6DHODHHCAR2DPP4
SCHEMBL11830217 0.76 PTPN1 (0.37) MMEDPP4DPP7AKR1C3AKR1C2
SCHEMBL11837111 0.75 MMP2 (0.45) FFAR1
SCHEMBL11829227 0.75 PTGS2 (0.45) MMEFFAR1

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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