SCHEMBL8435693

SCHEMBL8435693

N[C@H]1COC[C@@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.41
AXL P30530 2/20 0.41
BCHE P06276 3/20 0.40
PDE4D Q08499 1/20 0.40
SLC6A2 P23975 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 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
SCHEMBL18580338 0.87 PSEN1 (0.42) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL18580339 0.87 PSEN1 (0.42) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL18580336 0.87 PSEN1 (0.42) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL18580630 0.87 PSEN1 (0.42) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL18580628 0.87 PSEN1 (0.42) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL8432901 0.84 PDE4D (0.44) MERTKAXLBCHEPDE4DSLC6A2
SCHEMBL9074022 0.81 PDE4D (0.46) MERTKAXLBCHEPDE4DSLC6A2
SCHEMBL9074021 0.81 PDE4D (0.46) MERTKAXLBCHEPDE4DSLC6A2
SCHEMBL6671511 0.81 PDE4D (0.46) MERTKAXLBCHEPDE4DSLC6A2
SCHEMBL6669362 0.81 PDE4D (0.46) MERTKAXLBCHEPDE4DSLC6A2

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
US-RE36385-E TREATMENT OF TUMORS, ENHANCING IMMUNITY ONO PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0288888-B1 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO (JP) 1993-12-08 EP disclosed
US-4925929-A ANTITUMOR AGENTS ONO PHARMACEUTICAL CO. LTD. (JP) 1990-05-15 US disclosed