SCHEMBL9811063

SCHEMBL9811063

CSc1ccc2c(c1)C(=O)c1cc(F)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PTGS1 P23219 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
EGFR P00533 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
DRD1 P21728 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRM1 P35372 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CYSLTR1 Q9Y271 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
SCHEMBL29036115 0.88 MCL1 (0.46) ALDH1A1MAPTBCL2MCL1ESR1
SCHEMBL7432075 0.82 CA1 (0.52) ALDH1A1CYP1A2CYP3A4CA1CA2
SCHEMBL30479662 0.82 CA1 (0.52) ALDH1A1CYP1A2CYP3A4CA1CA2
SCHEMBL9811057 0.81 ELANE (0.53) PPARGALDH1A1MAPK1CYP3A4MAPT
SCHEMBL11294862 0.79 ELANE (0.55) PPARGALDH1A1MAPK1CYP3A4MAPT
SCHEMBL9811010 0.78 CA1 (0.48) ALDH1A1CYP1A2MAPK1CYP3A4MAPT
SCHEMBL9328908 0.77 CA1 (0.52) ALDH1A1CYP1A2MAPK1CYP3A4TDP1
SCHEMBL21348196 0.75 BCL2 (0.56) MAPTBCL2MCL1
SCHEMBL9685867 0.75 S100A4 (0.57) CYP1A2MAPK1TDP1BCL2MCL1
SCHEMBL16491853 0.75 ELANE (0.61) ALDH1A1CYP1A2CYP3A4CA1CA2

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