SCHEMBL7319322

SCHEMBL7319322

CCCCCCCCCCCC(=O)OC(C(C)C)C(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
TLR2 O60603 3/20 0.41

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
SCHEMBL7319307 0.80 MMEL1 (0.44) MMEL1L3MBTL1TLR2
SCHEMBL7320387 0.80 MMEL1 (0.44) MMEL1L3MBTL1TLR2
SCHEMBL7320395 0.79 MMEL1 (0.44) MMEL1TLR2
SCHEMBL7349076 0.79 MMEL1 (0.44) MMEL1TLR2
SCHEMBL7321260 0.75 HDAC3 (0.38) TLR2
SCHEMBL7322732 0.74 TLR2 (0.38) TLR2
SCHEMBL7314444 0.74 TLR2 (0.39) L3MBTL1TLR2
SCHEMBL7309636 0.73 TLR2 (0.41) L3MBTL1TLR2
SCHEMBL7321253 0.73 L3MBTL1 (0.39) MMEL1L3MBTL1TLR2
SCHEMBL7313712 0.72 MMEL1 (0.53) MMEL1L3MBTL1

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-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed