SCHEMBL28837376

SCHEMBL28837376

CCCCCCCCCCCCc1cccc2c(=O)c3ccccc3sc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL29716231 1.00 CYP19A1 (0.49) CYP19A1NR1H2NR1H3CNR2CNR1
SCHEMBL18242110 0.94 CYP19A1 (0.51) CYP19A1NR1H2NR1H3CNR2CNR1
SCHEMBL18356544 0.88 LIPG (0.46) NR1H2NR1H3CNR2CNR1LIPG
SCHEMBL18242655 0.88 CYP19A1 (0.53) CYP19A1CNR2CNR1HCRTR1ALDH1A1
SCHEMBL29936500 0.84 CYP19A1 (0.57) CYP19A1CNR2CNR1HCRTR1ALDH1A1
SCHEMBL6868806 0.84 CYP19A1 (0.57) CYP19A1CNR2CNR1HCRTR1ALDH1A1
SCHEMBL28756839 0.83 MAPT (0.44) NR1H2NR1H3CNR2CNR1LIPG
SCHEMBL156107 0.83 MAPT (0.44) NR1H2NR1H3CNR2CNR1LIPG
SCHEMBL29904752 0.83 MAPT (0.44) NR1H2NR1H3CNR2CNR1LIPG
SCHEMBL4912934 0.83 MAPT (0.44) NR1H2NR1H3CNR2CNR1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728520-A Active energy ray-curable ink and image recording method 富士胶片株式会社 2022-07-08 CN disclosed
CN-114667324-A Active energy ray-curable ink, ink set, and image recording method 富士胶片株式会社 2022-06-24 CN disclosed