SCHEMBL5239907

SCHEMBL5239907

CC(=O)Cc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
GSK3A P49840 1/20 0.43
MAPK10 P53779 1/20 0.43
RIOK2 Q9BVS4 1/20 0.43
POLB P06746 1/20 0.43
MAOA P21397 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL11469526 0.83 PTGS1 (0.59) PTGS1AKR1C3AKR1C2GSK3AMAPK10
SCHEMBL265881 0.81 L3MBTL1 (0.56) GSK3AMAPK10RIOK2KDM4ECYP1A2
SCHEMBL11469720 0.81 ALDH1A1 (0.51) PTGS1AKR1C3AKR1C2GSK3AMAPK10
SCHEMBL7010851 0.81 PTGS1 (0.41) PTGS1AKR1C3AKR1C2GSK3AMAPK10
SCHEMBL48823 0.80 L3MBTL1 (0.55) POLBNPC1RAB9ALMNACYP3A4
SCHEMBL5692811 0.79 ALOX5 (0.51) PTGS1AKR1C3AKR1C2POLBMAOA
SCHEMBL18537208 0.79 L3MBTL1 (0.51) PTGS1AKR1C3AKR1C2GSK3AMAPK10
Hydrochloric Acid SCHEMBL27891675 0.78 L3MBTL1 (0.53) POLBNPC1RAB9ALMNACYP3A4
SCHEMBL28550460 0.78 PTGS1 (0.45) PTGS1AKR1C3AKR1C2RIOK2POLB
SCHEMBL28039414 0.78 AKR1C3 (0.45) PTGS1AKR1C3AKR1C2POLBMAOA

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-1851232-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES Prosidion Limited (GB) 2007-11-07 EP disclosed
WO-2006085118-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES PROSIDION LIMITED (GB) 2006-08-17 WO disclosed