SCHEMBL542579

SCHEMBL542579

O=C(O)c1c(F)cc(CO)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ACHE P22303 1/20 0.37
MEP1B Q16820 1/20 0.34
APP P05067 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL19115974 0.86 NPC1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19116207 0.82 CYP4F2 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL615360 0.80 LOXL2 (0.34) MEP1BTSHRKDM4ERARARARB
SCHEMBL12181094 0.80 RXRA (0.44) TSHRRXRARXRBRARARARB
Hydrochloric Acid SCHEMBL19328812 0.78 PLAU (0.34) MEP1BTSHRKDM4ERARARARB
SCHEMBL13808390 0.77 PTPN1 (0.44) RARARARBRARG
SCHEMBL28888036 0.75 AKR1C2 (0.45) TDP1KDM4ECA2RARARARB
SCHEMBL288979 0.75 CES2 (0.46) TDP1TSHRMEN1KMT2AKDM4E
SCHEMBL25489234 0.75 GLRA3 (0.37) MEN1CRHBPKMT2ACRHR2KDM4E
SCHEMBL22068540 0.74 APP (0.49) ACHEAPPTDP1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed