SCHEMBL9564515

SCHEMBL9564515

CC(NCCCN)SP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.46
DRD3 P35462 1/20 0.46
GABBR2 O75899 4/20 0.38
GABBR1 Q9UBS5 4/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
LMNA P02545 2/20 0.36
ANPEP P15144 1/20 0.36
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRR1 P24046 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2148327 0.94 BLM (0.41) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL2148514 0.93 PAOX (0.40) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL2148490 0.93 PAOX (0.40) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL2148523 0.88 ANPEP (0.38) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL2148435 0.81 ALDH1A1 (0.34) ANPEP
SCHEMBL28588396 0.77 BLM (0.39) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL3795216 0.77 BLM (0.50) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL2148512 0.77 GABBR2 (0.36) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL371419 0.76 BLM (0.43) BLMDRD3GABBR2GABBR1CYP1A2
SCHEMBL2148484 0.76 ANPEP (0.33) ANPEP

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-0538911-A2 Chemical prevention or reversal of cataract by phase separation inhibitors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-04-28 EP claimed
EP-0316438-A1 CHEMICAL PREVENTION OR REVERSAL OF CATARACT BY PHASE SEPARATION INHIBITORS. MASSACHUSETTS INST TECHNOLOGY (US) 1989-05-24 EP claimed
WO-1988009660-A2 CHEMICAL PREVENTION OR REVERSAL OF CATARACT BY PHASE SEPARATION INHIBITORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1988-12-15 WO claimed