SCHEMBL7824341

SCHEMBL7824341

O=P(O)(O)C12CC3CC(C1)CC(P(=O)(O)O)(C3)C2

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
EPHX2 P34913 2/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL5736635 0.84 GAA (1.00) GAASMN1; SMN2LMNANPSR1MEN1
Hydrochloric Acid SCHEMBL2825475 0.82 GAA (0.95) GAASMN1; SMN2LMNANPSR1MEN1
Hydrochloric Acid SCHEMBL29127785 0.72 GAA (0.68) GAASMN1; SMN2LMNANPSR1MEN1
SCHEMBL18207941 0.70 GAA (0.58) GAA
SCHEMBL6466244 0.70 GAA (0.65) GAASMN1; SMN2LMNANPSR1MEN1
SCHEMBL14746227 0.65 GAA (0.41) GAASMN1; SMN2LMNAPKMNPSR1
Adamantane SCHEMBL28945080 0.65 GAA (0.50) GAANPSR1
Adamantane SCHEMBL28479166 0.65 GAA (0.50) GAANPSR1
SCHEMBL1091418 0.63 GAA (0.56) GAASMN1; SMN2LMNANPSR1MEN1
SCHEMBL2825473 0.63 GAA (0.56) GAASMN1; SMN2LMNANPSR1MEN1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed