SCHEMBL9636060

SCHEMBL9636060

CC(F)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
SIGMAR1 Q99720 1/20 0.57
MAOB P27338 4/20 0.56
MAOA P21397 2/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
BCHE P06276 2/20 0.54
PPARG P37231 2/20 0.54
PPARA Q07869 2/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2736160 0.86 LTA4H (0.61) LTA4HSIGMAR1MAOBMAOALMNA
SCHEMBL11602141 0.83 LTA4H (0.58) LTA4HSIGMAR1MAOBMAOALMNA
SCHEMBL2750286 0.83 LTA4H (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL2750285 0.83 LTA4H (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL12532788 0.83 LTA4H (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL9637755 0.83 MAOB (0.59) LTA4HSIGMAR1MAOBMAOALMNA
Hydrochloric Acid SCHEMBL9021063 0.81 MAOB (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL8457071 0.81 SIGMAR1 (0.58) SIGMAR1MAOASLC6A2SLC6A3
SCHEMBL1033148 0.81 SIGMAR1 (0.58) SIGMAR1MAOASLC6A2SLC6A3
SCHEMBL3773474 0.81 SIGMAR1 (0.58) SIGMAR1MAOASLC6A2SLC6A3

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-0304320-B1 FLUORINE-CONTAINING LIQUID CRYSTAL COMPOUND Takasago International Corporation (JP) 1992-06-03 EP disclosed
EP-0304320-A2 Fluorine-containing liquid crystal compound Takasago International Corporation (JP) 1989-02-22 EP disclosed