SCHEMBL7405137

SCHEMBL7405137

CC(C)(C)[C@H](CC(=O)O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 5/20 0.39
▸ RIPK1 Q13546 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CPA1 P15085 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ CPA3 P15088 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36

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
SCHEMBL7403335 0.87 NR3C1 (0.39) NR3C1MEN1KMT2APGRNR3C2
SCHEMBL11160283 0.76 NR3C1 (0.43) NR3C1MEN1KMT2AL3MBTL1PGR
SCHEMBL7405135 0.75 CRHBP (0.52) NR3C1MEN1KMT2AHTTL3MBTL1
SCHEMBL1533790 0.71 TSHR (0.48) NR3C1PGRNR3C2AR
SCHEMBL25152152 0.70 MAPT (0.51) L3MBTL1CPA1
SCHEMBL3299318 0.70 MAPT (0.51) L3MBTL1CPA1
SCHEMBL25152388 0.70 MAPT (0.51) L3MBTL1CPA1
SCHEMBL5406966 0.70 NR3C1 (0.42) NR3C1MEN1KMT2AL3MBTL1PGR
SCHEMBL9061926 0.69 LMNA (0.39) NR3C1RIPK1MEN1KMT2ATRPM8
SCHEMBL9749583 0.68 TSHR (0.50) NR3C1KMT2APGRNR3C2AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 — — US disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 — — WO disclosed
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