SCHEMBL28036053

SCHEMBL28036053

Cc1c(C(=O)OBr)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.49
CTSS P25774 2/20 0.47
DHODH Q02127 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
P2RX7 Q99572 5/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL726068 0.85 TAS2R14 (0.54) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL28327188 0.83 TAS2R14 (0.49) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL27976262 0.83 TAS2R14 (0.49) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL28052031 0.80 TAS2R14 (0.55) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL697951 0.79 TAS2R14 (0.67) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL29656425 0.79 TAS2R14 (0.54) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL12327907 0.79 TAS2R14 (0.54) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL20267165 0.78 ALDH1A1 (0.58) TAS2R14CTSSLMNAKDM4E
Hydrochloric Acid SCHEMBL15352107 0.77 TAS2R14 (0.65) TAS2R14CTSSDHODHHDAC6LMNA
SCHEMBL5370256 0.77 TAS2R14 (0.53) TAS2R14CTSSDHODHHDAC6LMNA

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
CN-105143193-A Biaryl or heterocyclic biaryl substituted cyclohexene derivative compounds as CETP inhibitors CHONG KUN DANG PHARM CORP 2015-12-09 CN disclosed