SCHEMBL7319346

SCHEMBL7319346

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CAPN1 P07384 1/20 0.38
CAPN2 P17655 1/20 0.38
TERT O14746 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 0.91 L3MBTL1 (0.38) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7314499 0.91 HRH4 (0.41) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7311781 0.89 TLR2 (0.38)
Hydrochloric Acid SCHEMBL9683593 0.89 TLR2 (0.38)
SCHEMBL7309636 0.86 TLR2 (0.41) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7320312 0.86 L3MBTL1 (0.39)
SCHEMBL7312123 0.85 MEN1 (0.43) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7310277 0.85 CYP3A4 (0.42) ALDH1A1
SCHEMBL7319953 0.84 L3MBTL1 (0.39) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7307856 0.84 HRH4 (0.42) 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 4 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
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed