SCHEMBL6270908

SCHEMBL6270908

COC(=O)C(C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
PTPN5 P54829 3/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
CASR P41180 1/20 0.49
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
MGLL Q99685 3/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KIF11 P52732 1/20 0.46
FFAR1 O14842 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL5791303 0.86 AKR1C3 (0.55) PTPN5PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL5033496 0.86 PTGS2 (0.66) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL6270587 0.85 AKR1C3 (0.63) HDAC4PTPN5PTGS2AKR1C3AKR1C2
SCHEMBL15947827 0.84 PTGS1 (0.56) PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL5039701 0.83 PTGS1 (0.66) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL8078579 0.81 HPGD (0.50) PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL2274626 0.78 PTPN5 (0.69) HDAC4PTPN5CASRPSEN1PSEN2
SCHEMBL2274629 0.78 PTPN5 (0.69) HDAC4PTPN5CASRPSEN1PSEN2
SCHEMBL2274622 0.78 PTPN5 (0.69) HDAC4PTPN5CASRPSEN1PSEN2
SCHEMBL6477785 0.78 PSEN1 (0.54) HDAC4PTPN5CASRAKR1C3AKR1C2

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-1604970-A1 2-(Biphenyl-3-yl)-carboxylic acids of gamma-secretase-modulating activity CELLZOME AG (DE) 2005-12-14 EP disclosed
WO-2005110963-A1 (BIPHENYL-3-YL)-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND THEIR USE IN THERAPY CELLZOME AG (DE) 2005-11-24 WO disclosed