SCHEMBL31544286

SCHEMBL31544286

CCCOc1ccc(C(=O)OCC)c2c(=O)c3ccccc3sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL18202638 0.84 MAPT (0.46) CNR1CNR2MAPTLMNAGAA
SCHEMBL23226923 0.83 CNR1 (0.44) CNR1CNR2MAPTLMNAMAOB
SCHEMBL25768555 0.80 MAPT (0.44) MAPTLMNAL3MBTL1MAOBALDH1A1
SCHEMBL1615138 0.79 MAPT (0.43) CNR1CNR2MAPTLMNAL3MBTL1
SCHEMBL29785792 0.79 MAPT (0.43) CNR1CNR2MAPTLMNAL3MBTL1
SCHEMBL29353913 0.79 MAPT (0.43) MAPTLMNAMAOBALDH1A1KMT2A
SCHEMBL1614172 0.79 MAPT (0.43) CNR1CNR2MAPTLMNAGAA
SCHEMBL29428465 0.79 MAPT (0.43) MAPTLMNAMAOBALDH1A1KMT2A
SCHEMBL108341 0.79 MAPT (0.43) MAPTLMNAMAOBALDH1A1KMT2A
SCHEMBL9456116 0.78 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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-119731277-A Active energy ray-curable ink composition 株式会社大阪曹达 2025-03-28 CN disclosed