SCHEMBL11098282

SCHEMBL11098282

Cc1ccc(C2=C(OC(=O)Cl)CC(C)(C)CC2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C19 P33261 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL11093637 0.90 BRD4 (0.38) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL11098604 0.84 BRD4 (0.35) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL10735397 0.84 KDM4E (0.37) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL11094187 0.83 MAPK1 (0.35) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL11097162 0.83 BRD4 (0.40) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL10909040 0.82 BRD4 (0.34) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL10911409 0.82 BRD4 (0.35) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL11092386 0.81 CNR1 (0.37) BRD4OPRM1MAPTALDH1A1KMT2A
SCHEMBL10733838 0.81 KMT2A (0.38) BRD4OPRM1ALDH1A1KMT2AHPGD
SCHEMBL11096939 0.81 BRD4 (0.31) BRD4OPRM1HPGDKDM4ETP53

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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