SCHEMBL28846374

SCHEMBL28846374

COc1ccc(CC[CH]c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
EPHX2 P34913 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.45
ALOX15 P16050 2/20 0.45
LMNA P02545 2/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2051003 0.87 EPHX2 (0.49) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL7411959 0.80 TRPA1 (0.53) NPC1RAB9AL3MBTL1ALDH1A1ALOX15
SCHEMBL5632468 0.80 GPR52 (0.54) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL1838828 0.80 CALM1 (0.61) MEN1NPC1EPHX2RAB9AKMT2A
Anisaldehyde SCHEMBL29064107 0.76 ALDH1A1 (0.73) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL78643 0.75 MAPT (0.64) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL3665016 0.75 MAPT (0.64) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL1930129 0.74 ALDH1A1 (0.61) ALDH1A1ALOX15LMNATAAR1TP53
Fluoride SCHEMBL31538992 0.73 MAPT (0.62) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL4152967 0.72 GAA (0.64) MEN1NPC1EPHX2RAB9AKMT2A

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-102481463-B Cosmetics or dermatological preparation 施特雷特曼斯博士有限责任公司 2017-07-18 CN disclosed