SCHEMBL11865367

SCHEMBL11865367

COc1ccc2c(c1)C(OC(=O)C1C(C)(C)C1(C)C)CO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR1A P08908 1/20 0.43
MTNR1A P48039 5/20 0.42
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
ABCB1 P08183 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CYP19A1 P11511 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 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
SCHEMBL11877163 0.85 HCRTR2 (0.40) HCRTR2HTR2BSIGMAR1HTR1ACYP19A1
SCHEMBL11862536 0.84 HCRTR2 (0.44) HCRTR1HCRTR2DRD2DRD3
SCHEMBL11864992 0.81 HCRTR2 (0.43) HCRTR2HTR1ATP53
SCHEMBL11866412 0.81 CYP1A2 (0.44) HCRTR1HCRTR2HTR2BSIGMAR1HTR1A
SCHEMBL11866419 0.81 CYP1A2 (0.44) HCRTR1HCRTR2HTR2BSIGMAR1HTR1A
SCHEMBL11867419 0.81 CHRNB4 (0.38) LMNA
SCHEMBL11863635 0.81 HTR2B (0.43) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL11870882 0.80 SSTR4 (0.38) HCRTR2HTR2BCYP19A1
SCHEMBL11869529 0.78 HCRTR1 (0.37) HCRTR1HCRTR2HTR2BSIGMAR1HTR1A
SCHEMBL11863260 0.78 RIPK1 (0.38) TP53LMNADRD2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976663-A INSECTICIDE THE PROCTER & GAMBLE COMPANY (US) 1976-08-24 US claimed
US-3976663-A INSECTICIDE THE PROCTER & GAMBLE COMPANY (US) 1976-08-24 US disclosed