SCHEMBL7634778

SCHEMBL7634778

CCc1cc(OC)c(C(O)c2ccccc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 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
SCHEMBL11863667 0.76 CNR2 (0.47) KMT2ATOP2ATOP2BCNR2ALDH1A1
SCHEMBL13761459 0.75 ADRB2 (0.45) KMT2ACNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL13761466 0.75 ADRB2 (0.45) KMT2ACNR2ALDH1A1LMNAMEN1
SCHEMBL7048885 0.73 CA1 (0.41) TOP2ATOP2BSMN1; SMN2LMNACYP2D6
SCHEMBL1327564 0.73 CNR2 (0.40) KMT2ACNR2PKMSMN1; SMN2LMNA
Bicarbonate SCHEMBL10932098 0.72 CNR2 (0.43) KMT2APOLBCNR2ALDH1A1LMNA
SCHEMBL12185663 0.72 KCNH2 (0.47) KMT2APOLBCNR2ALDH1A1LMNA
SCHEMBL477540 0.71 IDO1 (0.55) KMT2APOLBCNR2ALDH1A1SMN1; SMN2
SCHEMBL30476555 0.71 IDO1 (0.55) KMT2APOLBCNR2ALDH1A1SMN1; SMN2
SCHEMBL30273872 0.71 IDO1 (0.55) KMT2APOLBCNR2ALDH1A1SMN1; 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
EP-1224195-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027128-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO disclosed