SCHEMBL8669528

SCHEMBL8669528

CCCCS(=O)(=O)Nc1[c]cccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PGAM1 P18669 1/20 0.42
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
LMNA P02545 1/20 0.41
BRD4 O60885 3/20 0.41
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
PSENEN Q9NZ42 1/20 0.40
PARP14 Q460N5 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39

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
SCHEMBL4540998 0.95 KDM4E (0.43) ARHPGDKDM4EALDH1A1GAA
SCHEMBL8744622 0.94 KDM4E (0.45) ARHPGDKDM4EALDH1A1
SCHEMBL2540301 0.90 ALDH1A1 (0.40) ARHPGDKDM4EALDH1A1GAA
SCHEMBL2206469 0.84 PSIP1 (0.46) ARHPGDKDM4EALDH1A1GAA
SCHEMBL27678736 0.84 AR (0.33) ARHPGDKDM4EALDH1A1GAA
SCHEMBL5119165 0.80 PTGES2 (0.33)
SCHEMBL3839740 0.77 KEAP1 (0.33)
SCHEMBL5478677 0.76 CA12 (0.31)
SCHEMBL5487764 0.76 PSIP1 (0.33) LMNA
SCHEMBL8668452 0.75 MAPT (0.39) HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
US-5744292-A COMPRISING DISPERSION OF FINE GRAINS OF SOLID DYE WHICH HAS BEEN HEAT TREATED, POLYMER HAVING HYDROPHOBIC END GROUP FUJI PHOTO FILM CO., LTD. (JP) 1998-04-28 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed
US-5019490-A Chlorotrifluoroethylene Polymer FUJI PHOTO FILM CO., LTD. (JP) 1991-05-28 US disclosed