SCHEMBL11864992

SCHEMBL11864992

CCc1ccc2c(c1)C(OC(=O)C1C(C)(C)C1(C)C)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.43
TP53 P04637 4/20 0.38
PARP1 P09874 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PABPC1 P11940 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AIMP2 Q13155 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL11863260 0.86 RIPK1 (0.38) TP53
SCHEMBL11877163 0.84 HCRTR2 (0.40) HCRTR2KMT2APABPC1RAB9AHTR1A
SCHEMBL11862536 0.82 HCRTR2 (0.44) HCRTR2
SCHEMBL11865367 0.81 HCRTR1 (0.43) HCRTR2TP53HTR1A
SCHEMBL11868723 0.80 CYP1A2 (0.45) HCRTR2TP53PARP1PABPC1CYP3A4
SCHEMBL11867419 0.80 CHRNB4 (0.38) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11863635 0.80 HTR2B (0.43) PTGS1HTR1A
SCHEMBL11870882 0.79 SSTR4 (0.38) HCRTR2CYP3A4
SCHEMBL11863586 0.79 HCRTR2 (0.37) HCRTR2TP53PARP1PABPC1CYP3A4
SCHEMBL11869983 0.69 TDP1 (0.46) MEN1KMT2ACYP3A4CYP1A2CYP2D6

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