SCHEMBL9811064

SCHEMBL9811064

Fc1ccc2c(c1)Cc1c(F)cccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
PGR P06401 4/20 0.46
PARP1 P09874 2/20 0.44
ACHE P22303 2/20 0.42
HSP90AA1 P07900 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
PNMT P11086 1/20 0.36
TDP2 O95551 1/20 0.36
CYP17A1 P05093 1/20 0.35
TRAP1 Q12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9811075 0.82 LMNA (0.58) CA1CA2CA4CA6PGR
SCHEMBL24727268 0.82 PGR (0.50) PGRACHEHSP90AA1HTR1AHTR7
SCHEMBL4359047 0.80 PNMT (0.53) CA1CA2CA4CA6PGR
SCHEMBL5684576 0.77 PGR (0.47) CA1CA2PGRNOS3NOS2
SCHEMBL577480 0.77 PGR (0.49) CA1CA2CA4CA6PGR
SCHEMBL29517854 0.77 PGR (0.47) CA1CA2PGRNOS3NOS2
SCHEMBL29420140 0.76 PGR (0.48) CA1CA2CA4CA6PGR
SCHEMBL29851576 0.76 ALDH1A1 (0.59) CA1CA2CA4CA6PGR
SCHEMBL5080927 0.76 ALDH1A1 (0.59) CA1CA2CA4CA6PGR
SCHEMBL17068947 0.76 ALDH1A1 (0.59) CA1CA2CA4CA6PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0092385-B1 HYDANTOIN DERIVATIVES FOR USE IN INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOREN COMPOUNDS ALCON LABORATORIES, INC. (US) 1991-06-12 EP disclosed
US-4540700-A Treatment of diabetic complications with certain spiro-imidazolidine-diones ALCON LABORATORIES, INC. (US) 1985-09-10 US disclosed
US-4438272-A COMPLICATIONS OF DIABETES ALCON LABORATORIES, INC. (US) 1984-03-20 US disclosed
US-4436745-A TETRACYCLIC SPIROHYDANTOINS ALCON LABORATORIES, INC. (US) 1984-03-13 US disclosed
WO-1983003543-A1 METHOD OF INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOROFLUOREN AND SPIRO-DIFLUOROFLUOREN COMPOUNDS ALCON LAB INC (US) 1983-10-27 WO disclosed
EP-0092385-A2 Hydantoin derivatives for use in inhibiting aldose reductase activity, compositions therefor and process for preparing spiro-fluoren compounds ALCON LABORATORIES, INC. (US) 1983-10-26 EP disclosed