SCHEMBL2067078

SCHEMBL2067078

COc1ccc(C(N(C(=O)O)c2ccc(OC)o2)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ AKR1C3 P42330 3/20 0.35
▸ AKR1C2 P52895 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ CDC42 P60953 1/20 0.35
▸ RAC1 P63000 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 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
SCHEMBL2069013 0.90 L3MBTL1 (0.35) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL2068885 0.81 CYP26A1 (0.36) NPSR1MAPTNPC1RAB9AAKR1C3
SCHEMBL2068393 0.78 CTSA (0.33) NPSR1L3MBTL1PTGS2PTGS1ACP3
SCHEMBL2067076 0.71 NPSR1 (0.39) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL5608354 0.69 TSPO (0.50) TSHRKMT2AMEN1TDP1
SCHEMBL4595807 0.69 MEN1 (0.42) NPSR1L3MBTL1KMT2AFFAR1MEN1
SCHEMBL16989151 0.68 MEN1 (0.38) NPSR1L3MBTL1RAB9AAKR1C3AKR1C2
SCHEMBL2067846 0.68 NPSR1 (0.35) NPSR1MAPTRAB9AKMT2AMEN1
SCHEMBL2068980 0.68 ALOX5 (0.33) KMT2AMEN1ALOX5
SCHEMBL16989156 0.67 BLM (0.39) CYP1A2TSHRKMT2AMEN1TDP1

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 — — US disclosed
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