SCHEMBL8899536

SCHEMBL8899536

CCSCCCCCCOc1cccc2c3c(ccc12)C=CC(C)(C)O3

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 1/20 0.32
HTR1B P28222 3/20 0.31
TLR3 O15455 1/20 0.31
NCF1 P14598 1/20 0.30
SLC6A4 P31645 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HTR1D P28221 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
SCHEMBL8021994 0.88 CNR1 (0.40) MEN1HTTKMT2AHTR1BCNR1
SCHEMBL31290574 0.88 CNR1 (0.40) MEN1HTTKMT2AHTR1BCNR1
SCHEMBL8131792 0.75 MEN1 (0.40) MEN1HTTKMT2ATLR3CNR1
SCHEMBL8136944 0.75 CA12 (0.43)
SCHEMBL8899532 0.72 PPARD (0.30) PPARD
SCHEMBL10506078 0.64 ODC1 (0.43) TLR3
SCHEMBL347409 0.62 CNR1 (0.57) MEN1HTTKMT2AHTR1BSLC6A4
SCHEMBL2917038 0.62 CNR1 (0.57) MEN1HTTKMT2AHTR1BSLC6A4
SCHEMBL6938193 0.62 CNR1 (0.57) MEN1HTTKMT2AHTR1BSLC6A4
SCHEMBL9917550 0.62 HSD17B10 (0.43) MEN1HTTKMT2APPARD

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
US-5631382-A PHOTOCHROMIC LENSES TOKUYAMA CORPORATION (JP) 1997-05-20 US disclosed