SCHEMBL18068

SCHEMBL18068

CCOc1ccc(C(O)c2cc(Br)ccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
KAT6A Q92794 1/20 0.41
NQO1 P15559 1/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ACACB O00763 3/20 0.39
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 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
SCHEMBL12782048 0.85 LMNA (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1767736 0.83 MAPT (0.47) L3MBTL1MEN1KMT2AEGFRLCK
SCHEMBL12290810 0.82 MAPT (0.37) L3MBTL1MEN1KMT2ALMNAPOLB
SCHEMBL26290 0.79 ALOX15 (0.40)
SCHEMBL182606 0.79 KMT2A (0.41) KMT2ALMNAALDH1A1GAARAB9A
SCHEMBL1199479 0.77 ALDH1A1 (0.40) L3MBTL1MEN1KMT2ALMNAPOLB
SCHEMBL1539284 0.77 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ANQO1LMNA
SCHEMBL9114461 0.76 NQO1 (0.64) L3MBTL1MEN1KMT2ANQO1LMNA
SCHEMBL4090032 0.76 AKR1C3 (0.45) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL15748700 0.75 MAPK1 (0.45)

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
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed