SCHEMBL7875436

SCHEMBL7875436

CC(C)(C)[CH]N(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PAX8 Q06710 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AKT1 P31749 2/20 0.35
▸ HDAC3 O15379 1/20 0.35

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
SCHEMBL27867642 0.83 MEN1 (0.37) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL8736767 0.78 MEN1 (0.43) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL504005 0.78 L3MBTL1 (0.55) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL7200107 0.77 RAB9A (0.57) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL7363893 0.77 KDM4E (0.45) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL27536175 0.75 MEN1 (0.41) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL2354804 0.75 L3MBTL1 (0.43) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL8782785 0.75 MEN1 (0.41) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL14907285 0.74 MEN1 (0.40) BRD4MEN1KMT2ANPSR1RAB9A
SCHEMBL6182625 0.74 CRHBP (0.41) BRD4MEN1KMT2ANPSR1RAB9A

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
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 — — WO disclosed
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