SCHEMBL7309636

SCHEMBL7309636

CCCCCCCCCCOC(=O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)OC(OC(=O)CCCCCCC)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
LPAR1 Q92633 2/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL9683565 0.95 L3MBTL1 (0.38) TLR2L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7314444 0.95 TLR2 (0.39) TLR2L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7322726 0.93 TLR2 (0.40) TLR2L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7320387 0.92 MMEL1 (0.44) TLR2L3MBTL1BCHE
SCHEMBL7319307 0.92 MMEL1 (0.44) TLR2L3MBTL1BCHE
SCHEMBL7311781 0.90 TLR2 (0.38) TLR2
Hydrochloric Acid SCHEMBL9683593 0.89 TLR2 (0.38) TLR2
SCHEMBL7319953 0.89 L3MBTL1 (0.39) TLR2L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7321253 0.88 L3MBTL1 (0.39) TLR2L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7319346 0.86 MEN1 (0.40) MEN1ALDH1A1HPGDKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
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