SCHEMBL28848463

SCHEMBL28848463

COc1cc(C2CC2)c(C2CC2)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
GFER P55789 1/20 0.44
HTR2A P28223 7/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
HTR2C P28335 5/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL20259973 0.86 POLB (0.40) GAAPOLBGFERHTR2AALDH1A1
SCHEMBL2953510 0.76 GAA (0.59) GAAPOLBGFERALDH1A1MEN1
SCHEMBL20073796 0.74 QDPR (0.46) GAAPOLBGFERHTR2A
SCHEMBL12889915 0.74 GAA (0.57) GAAPOLBGFERHTR2AALDH1A1
SCHEMBL28166402 0.73 KDM4E (0.45) GAAHTR2AALDH1A1TSHRMAPT
SCHEMBL30888631 0.72 HTR2C (0.53) GAAHTR2AALDH1A1HTR2CTSHR
SCHEMBL14200081 0.72 GAA (0.57) GAAPOLBGFERHTR2AALDH1A1
SCHEMBL2966137 0.72 MAOA (0.42) GAAPOLBGFERHTR2AALDH1A1
SCHEMBL27102693 0.72 P2RX3 (0.42) GAAPOLBGFERP2RX3P2RX2
SCHEMBL21145969 0.70 MMP13 (0.43) POLBALDH1A1HTR2C

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
CN-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 CN disclosed