SCHEMBL9198328

SCHEMBL9198328

[C]1=CCc2ccccc2C1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
PDPK1 O15530 1/20 0.34
MTOR P42345 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CTSV O60911 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL4310302 0.80 HTR2A (0.33) SLC6A2SLC6A4SLC6A3PRCPHTR2A
SCHEMBL1009380 0.77 HTR2A (0.38) HTR2AIDO1
SCHEMBL9199555 0.76 MAPT (0.32) PDPK1HTR2AIDO1
SCHEMBL4310550 0.76 MAPT (0.32) PDPK1HTR2AIDO1
SCHEMBL8492145 0.72 PDPK1 (0.32) PDPK1
SCHEMBL455641 0.69 HTR2A (0.34) PRCPHTR2A
SCHEMBL3389204 0.67 HTR2A (0.35) PDPK1HTR2AGRIN1GRIN2BIDO1
SCHEMBL8890669 0.67 CHRNB2 (0.33) PDPK1HTR2AOPRM1GRIN1GRIN2B
SCHEMBL3634708 0.67 PRCP (0.38) SLC6A2SLC6A4SLC6A3PRCPHTR2A
SCHEMBL458495 0.66 HTR2A (0.35) PDPK1PRCPHTR2AOPRM1

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
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed