SCHEMBL6850685

SCHEMBL6850685

BCc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
ALDH1A1 P00352 6/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.47
P2RX7 Q99572 6/20 0.46
PKM P14618 1/20 0.46
HSD11B1 P28845 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6848952 0.90 NPC1 (0.53) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL6847838 0.89 ERCC5 (0.53) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL12173023 0.89 ERCC5 (0.50) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL12098938 0.89 ERCC5 (0.50) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL6848781 0.87 P2RX7 (0.59) ALDH1A1P2RX7L3MBTL1HTTLMNA
SCHEMBL6850507 0.84 P2RX7 (0.55) ALDH1A1TSHRP2RX7HSD11B1HTT
SCHEMBL6357205 0.83 P2RX7 (0.62) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL6847664 0.82 ERCC5 (0.52) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL27888913 0.81 ERCC5 (0.50) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL6361740 0.81 P2RX7 (0.65) ERCC5FEN1ALDH1A1TSHRP2RX7

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-2011061996-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE 田辺三菱製薬株式会社 (JP) 2011-05-26 WO disclosed