SCHEMBL9449306

SCHEMBL9449306

CCOP(=O)(OCC)C(C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)P(=O)(OCC)OCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
CTSL P07711 4/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
ACE P12821 3/20 0.51
PIN1 Q13526 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PSMB5 P28074 2/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL14377773 0.82 SMN1; SMN2 (0.60) SMN1; SMN2GAARAB9ACTSLCTSS
SCHEMBL3927028 0.79 CTSL (0.71) GAARAB9ACTSLCTSSCTSK
SCHEMBL28790851 0.79 CTSL (0.71) GAARAB9ACTSLCTSSCTSK
SCHEMBL25004063 0.78 CTSL (0.62) RAB9ACTSLCTSSCTSKACE
SCHEMBL6942271 0.78 GAA (0.60) SMN1; SMN2GAARAB9ACTSLCTSS
SCHEMBL1793176 0.76 GAA (0.76) GAARAB9ACTSLCTSSCTSK
SCHEMBL2461492 0.76 GAA (0.76) GAARAB9ACTSLCTSSCTSK
SCHEMBL31206887 0.76 GAA (0.76) GAARAB9ACTSLCTSSCTSK
SCHEMBL8056323 0.76 CTSL (0.58) CTSLCTSSCTSKACEPSMB5
SCHEMBL16523134 0.75 CTSL (0.65) GAARAB9ACTSLCTSSCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544812-A1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1993-06-09 EP claimed