SCHEMBL7828145

SCHEMBL7828145

CCOc1ccc(-c2ccccc2[PH](=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NQO1 P15559 1/20 0.44
LTA4H P09960 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RPS6KA2 Q15349 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL7821017 0.82 HDAC4 (0.54) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL6013603 0.79 NQO1 (0.64) FFAR1FFAR4NQO1LTA4HNPC1
SCHEMBL5698011 0.76 LTA4H (0.61) FFAR1FFAR4NQO1LTA4HNPC1
SCHEMBL562949 0.75 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HPGDMAPK1KMT2A
SCHEMBL5833074 0.75 FFAR1 (0.58) FFAR1FFAR4NQO1LTA4HHCRTR1
SCHEMBL11021395 0.75 NQO1 (0.52) FFAR1FFAR4NQO1LTA4HHCRTR1
SCHEMBL7828144 0.75 NQO1 (0.52) NQO1LTA4HNPC1LMNATSHR
SCHEMBL916574 0.74 ABL1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13211652 0.74 NQO1 (0.56) FFAR1FFAR4NQO1LTA4HHCRTR1
SCHEMBL4988323 0.73 NPC1 (0.59) FFAR1FFAR4HCRTR1HCRTR2NPC1

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