SCHEMBL9429538

SCHEMBL9429538

CC(C)c1ccc(C2=C3C=CC(=N3)C(c3ccc(C(C)C)c(S(=O)(=O)O)c3)=C3C=CC(=N3)C(c3ccc(C(C)C)c(S(=O)(=O)O)c3)=C3C=CC(=N3)C(c3ccc(C(C)C)c(S(=O)(=O)O)c3)=C3C=CC2=N3)cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ SLC9A1 P19634 2/20 0.32
▸ SLC9A2 Q9UBY0 1/20 0.31
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL9429760 0.82 TET2 (0.37) —
SCHEMBL9429056 0.80 HSD17B10 (0.38) —
SCHEMBL9429348 0.78 GSK3B (0.40) NPC1
SCHEMBL267948 0.71 LMNA (0.41) —
Water SCHEMBL23522818 0.70 LMNA (0.39) —
SCHEMBL17768421 0.70 LMNA (0.39) —
SCHEMBL15004685 0.70 LMNA (0.39) —
Water SCHEMBL14977045 0.69 LMNA (0.38) —
SCHEMBL1979988 0.68 LMNA (0.52) FABP3FABP4FABP5SLC9A1SLC9A2
SCHEMBL29926173 0.68 LMNA (0.52) FABP3FABP4FABP5SLC9A1SLC9A2

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-5284647-A Administering for magnetic resonance imaging SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
EP-0336879-A1 Meso-tetraphenylporphyrin complex compounds,process for their preparation and pharmaceuticals containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-11 — — EP disclosed
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