SCHEMBL7055482

SCHEMBL7055482

C[C@H](O[C@@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.61
AOC3 Q16853 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
ATM Q13315 1/20 0.47
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CYP2A6 P11509 1/20 0.45
MMP9 P14780 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2956980 1.00 UGT2B7 (0.61) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL17789901 0.88 UGT2B7 (0.53) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL11672373 0.87 UGT2B7 (0.61) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL16247729 0.85 UGT2B7 (0.50) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL1753651 0.85 UGT2B7 (0.59) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL11763925 0.85 UGT2B7 (0.46) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL11761450 0.84 UGT2B7 (0.49) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL11764731 0.82 UGT2B7 (0.44) UGT2B7AOC3MEN1KMT2ACYP1A2
SCHEMBL9179436 0.81 UGT2B7 (0.71) UGT2B7AOC3MEN1KMT2ACYP1A2
Naphthalene SCHEMBL9636781 0.81 UGT2B7 (0.71) UGT2B7AOC3MEN1KMT2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404687-A4 FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS UNIV PITTSBURGH (US) 2004-10-27 EP disclosed
EP-1404687-A2 FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS UNIVERSITY OF PITTSBURGH (US) 2004-04-07 EP disclosed
WO-2002100802-A2 FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS UNIVERSITY OF PITTSBURGH (US) 2002-12-19 WO disclosed