SCHEMBL11092748

SCHEMBL11092748

COCOC1=C(c2ccc(C)cc2C)C(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAOB P27338 5/20 0.33
▸ MAOA P21397 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL11094931 0.82 OPRM1 (0.39) GAAMAPTMAOBLMNAL3MBTL1
SCHEMBL11095394 0.82 RAB9A (0.38) GAAMAPTMAOBHPGDTSHR
SCHEMBL11095928 0.75 ALDH1A1 (0.38) GAAMAPTMAOBMAOALMNA
SCHEMBL11091882 0.70 BRD4 (0.36) GAAMAPTMAOBLMNAHPGD
SCHEMBL10898795 0.68 GAA (0.43) GAALMNAMAPK1L3MBTL1ALDH1A1
SCHEMBL11097162 0.68 BRD4 (0.40) GAAMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL11090700 0.65 ADORA3 (0.38) GAAMAPTMAOBLMNAL3MBTL1
SCHEMBL11095941 0.65 OPRM1 (0.39) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL12772059 0.65 HPGD (0.50) GAAMAPTLMNAHPGDTSHR
SCHEMBL29601399 0.65 HPGD (0.50) GAAMAPTLMNAHPGDTSHR

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
US-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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