SCHEMBL14036616

SCHEMBL14036616

CCOc1cc(C)c(C=O)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 10/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRNA4 P43681 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14036788 0.84 ADRA1D (0.41) LMNAALDH1A1TSHRCYP1A2ADRA2A
SCHEMBL6405698 0.83 POLB (0.54) LMNAALDH1A1HSD17B10TSHRGAA
SCHEMBL9704720 0.82 LMNA (0.53) LMNAALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL5883185 0.81 LMNA (0.40) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL18319253 0.80 LMNA (0.51) LMNAALDH1A1HSD17B10TSHRNPSR1
SCHEMBL2625747 0.80 LMNA (0.47) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL11196471 0.78 CYP1A2 (0.49) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL13049121 0.76 GRIA1 (0.42) LMNAALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL22945621 0.75 LMNA (0.67) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL31634966 0.75 LMNA (0.67) LMNAALDH1A1HSD17B10TSHRCYP1A2

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
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed