SCHEMBL9701146

SCHEMBL9701146

CCOC(=O)C(C)(C)Oc1ccc(Br)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.57
PPARA Q07869 2/20 0.49
TSHR P16473 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
AAK1 Q2M2I8 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL12860025 0.86 FBP1 (0.51) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL20562083 0.86 TSHR (0.47) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL16585371 0.86 FBP1 (0.59) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL5021961 0.86 CYP1A2 (0.47) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4399378 0.85 RAB9A (0.50) FBP1TSHRRAB9AMEN1KMT2A
SCHEMBL24901468 0.84 KMT2A (0.43) FBP1TSHRCYP1A2RAB9AMEN1
SCHEMBL1549824 0.84 FBP1 (0.58) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL275504 0.83 FBP1 (0.52) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4681849 0.83 FBP1 (0.55) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL7984260 0.82 TSHR (0.64) FBP1PPARATSHRABCB11CYP1A2

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
US-5116987-A METHOD OF PREPARING CHROMAN DERIVATIVES, AND SYNTHESIS INTERMEDIATES SANOFI (FR) 1992-05-26 US disclosed
US-5071991-A METHOD OF PREPARING CHROMAN DERIVATIVES, AND SYNTHESIS INTERMEDIATES SANOFI (FR) 1991-12-10 US disclosed