SCHEMBL4635288

SCHEMBL4635288

NCCC(=O)NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
ADRB3 P13945 1/20 0.37
FDPS P14324 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
CA12 O43570 2/20 0.36
MMP2 P08253 2/20 0.36
CA14 Q9ULX7 1/20 0.36
ANPEP P15144 2/20 0.35
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ENO1 P06733 1/20 0.33
CTSC P53634 1/20 0.33
TERT O14746 2/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL4633674 0.88 LMNA (0.41) ALDH1A1LMNAADRB3FDPSPDE4D
SCHEMBL22590166 0.82 CTSC (0.41) ALDH1A1LMNAADRB3FDPSPDE4D
SCHEMBL11304500 0.79 CTSC (0.37) ALDH1A1CA12MMP2ANPEPCTSC
SCHEMBL18825589 0.77 CAMK2A (0.36) CA12MMP2CA14ENO1CA2
SCHEMBL18825533 0.75 FAAH (0.34) ALDH1A1CA12MMP2CA14ENO1
SCHEMBL18825598 0.74 GAA (0.41) DNM1
SCHEMBL5276735 0.74 GAA (0.41) ALDH1A1LMNACYP3A4DNM1
SCHEMBL10718498 0.73 CA12 (0.38) ALDH1A1LMNACA12MMP2CA14
SCHEMBL11656666 0.73 CYP2C9 (0.46) FDPSCA12MMP2CA14ENO1
SCHEMBL3309690 0.73 CA12 (0.42) CA12MMP2CA14ENO1CA2

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-1928890-B1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC (CA) 2013-04-03 EP disclosed
US-8404664-B2 Phosphonated Rifamycins and uses thereof for the prevention and treatment of bone and joint infections TARGANTA THERAPEUTICS, INC. (CA) 2013-03-26 US disclosed
EP-1928890-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2008-06-11 EP disclosed
WO-2007096703-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-08-30 WO disclosed