SCHEMBL28796597

SCHEMBL28796597

COC1(OCc2ccccc2)CC=CC=C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
NR5A2 O00482 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
BCHE P06276 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ERN1 O75460 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
AGXT P21549 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
SCHEMBL6269405 0.85 KDM4E (0.30)
SCHEMBL27774042 0.77
SCHEMBL1001072 0.77
SCHEMBL8585802 0.75 GAA (0.32) MAPT
SCHEMBL27914188 0.75 ALDH1A1 (0.39) MAOBFFAR4MAPK1L3MBTL1
SCHEMBL28876295 0.74
SCHEMBL27795179 0.73
SCHEMBL28945459 0.71
SCHEMBL28924288 0.70 KDM4E (0.31)
SCHEMBL27509720 0.70

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-102597015-A Catalyst compounds and use thereof EXXONMOBIL CHEM PATENTS INC 2012-07-18 CN disclosed