SCHEMBL28085774

SCHEMBL28085774

CCCCOC(=O)C=CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
HCAR2 Q8TDS4 4/20 0.54
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
APP P05067 5/20 0.51
AKR1B10 O60218 3/20 0.47
AKR1B1 P15121 3/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL5113039 0.84 TSHR (0.54) ATMHCAR2TSHRTDP1L3MBTL1
SCHEMBL6263498 0.84 MAPT (0.57) HCAR2ALDH1A1MAPT
SCHEMBL6263496 0.84 MAPT (0.57) HCAR2ALDH1A1MAPT
SCHEMBL3695735 0.83 ATM (0.62) ATMHCAR2TSHRTDP1L3MBTL1
SCHEMBL3445677 0.83 HCAR2 (0.66) ATMHCAR2TSHRTDP1L3MBTL1
SCHEMBL3445675 0.83 HCAR2 (0.66) ATMHCAR2TSHRTDP1L3MBTL1
SCHEMBL28391197 0.83 HCAR2 (0.71) HCAR2TSHRTDP1ALDH1A1CYP3A4
Benzene SCHEMBL28181570 0.80 ATM (0.87) ATMHCAR2TSHRTDP1L3MBTL1
SCHEMBL13970012 0.80 ALDH1A1 (0.56) ATMHCAR2TSHRTDP1ALDH1A1
SCHEMBL28391528 0.79 HCAR2 (0.69) HCAR2TDP1L3MBTL1ALDH1A1MAPK1

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-103874742-B Carbazolocarbazole-bis (dicarboximides) and their use as semiconductors 巴斯夫欧洲公司 2016-08-17 CN disclosed