SCHEMBL10947384

SCHEMBL10947384

CC1(C)CC(=O)C(c2ccccc2)=C(OC(=O)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ WRN Q14191 1/20 0.35
▸ BUB1 O43683 1/20 0.34

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
SCHEMBL10949107 0.88 KMT2A (0.39) ELANEL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10948755 0.85 NPC1 (0.44) RAB9ANPC1L3MBTL1ALDH1A1MEN1
SCHEMBL10947368 0.82 MEN1 (0.35) ELANEL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10949369 0.81 CYP2C9 (0.39) ELANERAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL10951881 0.76 KMT2A (0.40) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL10942813 0.75 KMT2A (0.40) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL10948061 0.72 KMT2A (0.45) RAB9ANPC1L3MBTL1ALDH1A1MEN1
SCHEMBL10948993 0.71 CNR2 (0.34) ELANEALDH1A1KMT2AMAPTHPGD
SCHEMBL10730784 0.71 LMNA (0.38) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10948779 0.70 LMNA (0.37) ELANEALDH1A1MEN1KMT2AMAPT

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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