SCHEMBL12440781

SCHEMBL12440781

CC1(C)CC(O)CC(C)(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
FFAR4 Q5NUL3 11/20 0.41
FFAR1 O14842 3/20 0.39
BLM P54132 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.36
KDR P35968 1/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12351034 0.89 AR (0.48) ARBLMLMNAKDRBACE1
SCHEMBL12351016 0.88 KDR (0.52) LMNAMAPTKDRSMN1; SMN2
SCHEMBL12351022 0.86 NPY2R (0.42) LMNAMAPTKDRSMN1; SMN2
SCHEMBL12351029 0.85 AR (0.46) AR
SCHEMBL2360576 0.81 LMNA (0.61) LMNAMAPTSMN1; SMN2
SCHEMBL2358740 0.78 EPHX2 (0.43) SMN1; SMN2
SCHEMBL2360538 0.77 P2RX4 (0.50) LMNAMAPTKDRSMN1; SMN2
SCHEMBL2360243 0.77 EPHX1 (0.45) LMNAMAPT
SCHEMBL12351017 0.77 IDO1 (0.40) MAPT
SCHEMBL2359981 0.76 LMNA (0.41) LMNAMAPTKDRSMN1; SMN2

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
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed