SCHEMBL2030537

SCHEMBL2030537

C[C@H](N)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PTGS1 P23219 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ AOC3 Q16853 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 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
SCHEMBL2031161 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PTGS1KIF11
SCHEMBL2031297 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PTGS1KIF11
SCHEMBL13119204 0.85 KDM4E (0.46) PTGS1KIF11ACHEKDM4ETSHR
SCHEMBL2715618 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL1728892 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL1727565 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL18356000 0.83 PTGS1 (0.38) SLC6A4PTGS1KIF11ACHEKDM4E
SCHEMBL18266183 0.83 PDE2A (0.38) SLC6A2SLC6A4PTGS1PDE2A
Hydrochloric Acid SCHEMBL2719228 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16989095 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902012-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF SE (DE) 2015-12-09 — — EP disclosed
US-7968328-B2 Method for producing optically active aminoalkylphenols BASF SE (DE) 2011-06-28 — — US disclosed
US-20100209980-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2010-08-19 — — US disclosed
EP-1902012-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF SE (DE) 2008-03-26 — — EP disclosed
WO-2006136538-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 — — WO disclosed
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