SCHEMBL7808769

SCHEMBL7808769

CCOC(=O)C(C)(C)C1(c2ccc(F)cc2F)CO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
FBP1 P09467 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPK14 Q16539 2/20 0.35
GRM5 P41594 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8872349 0.89 MAPT (0.41) MAPTHTTFBP1POLBRAB9A
SCHEMBL8871864 0.88 MAPT (0.42) MAPTHTTFBP1POLBRAB9A
SCHEMBL7808783 0.75 BACE1 (0.39) HCAR3HCAR2
SCHEMBL7799833 0.74 HCAR3 (0.36) HCAR3HCAR2
SCHEMBL8872486 0.74 HCAR3 (0.39) HTTRAB9AHCAR3HCAR2THRB
SCHEMBL8871808 0.73 RAB9A (0.38) MAPTPOLBRAB9AALDH1A1TDP1
SCHEMBL8915328 0.72 NPSR1 (0.44) MAPTPOLBALDH1A1HCAR3HCAR2
SCHEMBL8446160 0.72 NPSR1 (0.44) MAPTPOLBALDH1A1HCAR3HCAR2
SCHEMBL8872284 0.72 HCAR3 (0.42) HTTRAB9AALDH1A1HCAR3HCAR2
SCHEMBL7804436 0.71 MAPK14 (0.35) MAPTALDH1A1TDP1HCAR3HCAR2

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-0819124-B1 AZOLE COMPOUNDS WITH ANTIMYCOTIC ACTIVITY FOR HUMAN AND VETERINARY USE ZAMBON SPA (IT) 2001-10-31 EP disclosed