SCHEMBL6571270

SCHEMBL6571270

CCCC(CC(C)C)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.49
CYP2D6 P10635 12/20 0.44
SLC6A2 P23975 11/20 0.44
SLC6A4 P31645 11/20 0.44
SLC6A3 Q01959 11/20 0.44
KCNH2 Q12809 9/20 0.44
CYP3A4 P08684 9/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 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
SCHEMBL10584005 0.81 UGT2B7 (0.46) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7502486 0.81 UGT2B7 (0.46) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL11051116 0.79 UGT2B7 (0.55) UGT2B7CYP2D6MEN1CYP1A2TSHR
SCHEMBL14533204 0.79 SLC6A2 (0.52) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10580403 0.79 CYP2D6 (0.43) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10579923 0.79 CYP2D6 (0.43) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10583568 0.79 CYP2D6 (0.43) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10583661 0.79 CYP2D6 (0.43) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10583789 0.79 CYP2D6 (0.43) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7764729 0.78 AOC3 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed