SCHEMBL3344044

SCHEMBL3344044

CCCCCCC1(c2ccccc2O)C=CC=CC1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
POLA1 P09884 1/20 0.30

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
SCHEMBL30777406 0.89
SCHEMBL7553960 0.79
SCHEMBL2423528 0.76 OPRM1 (0.36) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL10780105 0.69 CNR1 (0.49) MEN1KMT2ANAAAALDH1A1MAPT
SCHEMBL27578070 0.69 POLA1 (0.38) GAAPOLA1
SCHEMBL2433668 0.68 MEN1 (0.38) MEN1KMT2ANAAAALDH1A1MAPT
SCHEMBL10875328 0.67 POLA1 (0.47) GAAPOLA1
SCHEMBL6276544 0.67 POLA1 (0.47) GAAPOLA1
SCHEMBL29586709 0.67 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTMMP9
SCHEMBL4654322 0.67 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTMMP9

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-2010042313-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2010-04-15 WO disclosed