SCHEMBL23002152

SCHEMBL23002152

Cc1ccccc1C1C[C@@H](C)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
ALDH1A1 P00352 4/20 0.40
MT-CO2 P00403 2/20 0.40
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 5/20 0.39
HTR2A P28223 3/20 0.38
HTR2B P41595 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL11536611 0.80 MEN1 (0.49) ALDH1A1KDM4EHSD17B10L3MBTL1HTR2C
SCHEMBL8029062 0.78 DDB1 (0.46) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL2329301 0.77 DDB1 (0.54) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL11475323 0.77 MT-CO2 (0.46) DDB1CRBNALDH1A1MT-CO2ALOX5
SCHEMBL4132442 0.76 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL24815345 0.76 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL15874850 0.76 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL29973239 0.76 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL21452208 0.74 RIPK1 (0.35) MT-CO2ALOX5HTR2C
SCHEMBL7876855 0.73 DDB1 (0.43) DDB1CRBNHTR2C

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
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed