SCHEMBL11246241

SCHEMBL11246241

COc1ccc(C(=O)C(O)c2ccccc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 8/20 0.50
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.44
HTT P42858 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDE4D Q08499 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL11283361 0.84 TDP1 (0.55) ALDH1A1LMNAHPGDPDE4AHTT
SCHEMBL28062466 0.84 LMNA (0.46) ALDH1A1LMNACYP1A2PGRCYP2D6
SCHEMBL9850361 0.83 LMNA (0.44) ALDH1A1LMNACYP1A2PGRCYP2D6
SCHEMBL9056011 0.81 MAPT (0.53) ALDH1A1LMNAHTTTDP1L3MBTL1
SCHEMBL3502022 0.79 CPS1 (0.58) CPS1ALDH1A1LMNAHPGDMAPK1
SCHEMBL30513985 0.79 CPS1 (0.58) CPS1ALDH1A1LMNAHPGDMAPK1
SCHEMBL19952905 0.78 CES2 (0.47) ALDH1A1LMNAHPGDSLC6A2PDE4A
SCHEMBL11278714 0.77 ALDH1A1 (0.60) ALDH1A1LMNAHPGDMAPK1CES2
SCHEMBL27876515 0.77 CES2 (0.48) ALDH1A1LMNAHPGDMAPK1CES2
SCHEMBL28833093 0.77 CES2 (0.44) ALDH1A1LMNAHPGDSLC6A2MAPK1

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
US-4347248-A DIURETICS AMERICAN CYANAMID COMPANY (US) 1982-08-31 US disclosed
US-4344954-A DIURETICS AMERICAN CYANAMID COMPANY (US) 1982-08-17 US disclosed