SCHEMBL7312131

SCHEMBL7312131

CC(C)(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OCCCCCNC(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
TERT O14746 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
PTGER4 P35408 3/20 0.42
HRH4 Q9H3N8 1/20 0.42
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 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
SCHEMBL7312123 0.85 MEN1 (0.43) MEN1ALDH1A1HPGDKMT2AITGB3
SCHEMBL7312143 0.82 FOLH1 (0.42) MEN1ALDH1A1HPGDKMT2AMMP2
SCHEMBL7308495 0.80 CTSS (0.52) CTSLCTSBCTSSCTSK
SCHEMBL7319346 0.79 MEN1 (0.40) MEN1ALDH1A1HPGDKMT2ATERT
SCHEMBL7309944 0.78 MMEL1 (0.61) MME
SCHEMBL7316905 0.75 L3MBTL1 (0.45) MEN1ALDH1A1HPGDKMT2AMME
SCHEMBL7322563 0.74 HRH4 (0.50) MEN1ALDH1A1HPGDKMT2AHRH4
SCHEMBL7322667 0.74 HRH4 (0.50) MEN1ALDH1A1HPGDKMT2AHRH4
SCHEMBL14598315 0.73 CTSS (0.64) MEN1ALDH1A1HPGDKMT2ACTSL
Bromide SCHEMBL7311466 0.72 MME (0.45) ITGB3ITGA2BMMEECE1

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
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed