SCHEMBL22042316

SCHEMBL22042316

CCCCCC(Sc1ccccc1)C(=O)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.49
▸ PPARA Q07869 8/20 0.49
▸ ALOX5 P09917 8/20 0.49
▸ CES2 O00748 5/20 0.49
▸ CES1 P23141 5/20 0.49
▸ PTGES O14684 5/20 0.46
▸ LMNA P02545 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ TBXAS1 P24557 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ HTT P42858 1/20 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
SCHEMBL5081085 0.83 PPARG (0.66) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL8356987 0.82 PPARG (0.64) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL9099036 0.82 PPARG (0.64) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL22612343 0.82 PPARG (0.64) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL9099026 0.82 PPARG (0.64) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL5080497 0.79 PPARG (0.72) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL29501781 0.77 CES2 (0.56) CES2CES1LMNANAAA
SCHEMBL8856146 0.77 PPARG (0.52) PPARGPPARAALOX5PTGESLMNA
SCHEMBL2522381 0.74 CES2 (0.47) PPARGPPARAALOX5CES2CES1
SCHEMBL11610405 0.74 SLC6A2 (0.48) PPARGPPARAALOX5CES2CES1

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
WO-2020116397-A1 REPLICA MOLD FOR IMPRINTING AND METHOD FOR PRODUCING SAME 日産化学株式会社 2020-06-11 — — WO disclosed
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