SCHEMBL27597201

SCHEMBL27597201

COc1ccc(CCCCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
CALM1 P0DP23 2/20 0.56
ALOX15 P16050 2/20 0.54
IGF1R P08069 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
EPHX2 P34913 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
APEX1 P27695 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL1838828 0.96 CALM1 (0.61) KCNH2CALM1ALOX15IGF1RL3MBTL1
SCHEMBL4254058 0.85 CALM1 (0.72) CALM1ALOX15IGF1RL3MBTL1TDP1
SCHEMBL11007798 0.83 CALM1 (0.69) CALM1ALOX15IGF1RL3MBTL1TDP1
SCHEMBL9509173 0.83 CALM1 (0.69) CALM1ALOX15IGF1RL3MBTL1TDP1
SCHEMBL10571532 0.83 CALM1 (0.69) CALM1ALOX15IGF1RL3MBTL1TDP1
SCHEMBL17400406 0.83 CALM1 (0.69) CALM1ALOX15IGF1RL3MBTL1TDP1
SCHEMBL3665016 0.83 MAPT (0.64) ALOX15L3MBTL1MEN1NPC1EPHX2
SCHEMBL78643 0.83 MAPT (0.64) ALOX15L3MBTL1MEN1NPC1EPHX2
SCHEMBL20325128 0.83 KCNH2 (0.56) KCNH2MEN1KMT2AALDH1A1LMNA
SCHEMBL244070 0.81 CALM1 (0.79) CALM1ALOX15IGF1RL3MBTL1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437579-B Antioxidant agent MERCK PATENT GMBH 2012-11-21 CN disclosed
CN-101437579-A Antioxidant agent MERCK PATENT GMBH (DE) 2009-05-20 CN disclosed
CN-1646507-A Aminophenylbenzothiazole compounds CIBA SC HOLDING AG (CH) 2005-07-27 CN disclosed
CN-1642522-A Uv absorber compositions comprising a hydroxyphenyltriazine compound CIBA SC HOLDING AG (CH) 2005-07-20 CN disclosed