SCHEMBL7314499

SCHEMBL7314499

CCC(=O)OC(OP(=O)(O)CNC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MMEL1 Q495T6 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7320312 0.94 L3MBTL1 (0.39) L3MBTL1MMEL1
SCHEMBL7307856 0.93 HRH4 (0.42) HRH4L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7310006 0.91 MMEL1 (0.48) L3MBTL1MMEL1
SCHEMBL7319346 0.91 MEN1 (0.40) MEN1ALDH1A1HPGDKMT2A
SCHEMBL9683565 0.89 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL7310277 0.89 CYP3A4 (0.42) L3MBTL1ALDH1A1MMEL1
SCHEMBL7311781 0.88 TLR2 (0.38)
Hydrochloric Acid SCHEMBL9683593 0.87 TLR2 (0.38)
SCHEMBL7311112 0.86 L3MBTL1 (0.40) L3MBTL1MMEL1
SCHEMBL7314444 0.85 TLR2 (0.39) L3MBTL1MEN1ALDH1A1HPGDKMT2A

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