SCHEMBL7366640

SCHEMBL7366640

N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.60
ALPI P09923 1/20 0.60
PKM P14618 1/20 0.60
PTGS1 P23219 1/20 0.60
XIAP P98170 1/20 0.60
KMT2A Q03164 2/20 0.59
LTA4H P09960 2/20 0.59
MEN1 O00255 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
PLA2G2A P14555 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAOB P27338 3/20 0.58
NR4A2 P43354 1/20 0.57
GRIA2 P42262 1/20 0.57
PTPN1 P18031 1/20 0.57
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
GPR132 Q9UNW8 1/20 0.54
MAOA P21397 1/20 0.54

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
SCHEMBL10685032 1.00 SLC7A5 (0.60) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL20899684 0.99 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL20899685 0.99 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL15024161 0.90 MAOB (0.61) PKMKMT2ALTA4HSMN1; SMN2MAOB
SCHEMBL5116303 0.90 PTPN1 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2039627 0.89 SMN1; SMN2 (0.56) PKMKMT2ALTA4HMEN1HSP90AA1
SCHEMBL20905989 0.89 SMN1; SMN2 (0.56) PKMKMT2ALTA4HMEN1HSP90AA1
Hydrochloric Acid SCHEMBL29985601 0.87 SMN1; SMN2 (0.55) PKMKMT2ALTA4HMEN1HSP90AA1
SCHEMBL25359079 0.85 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL25356665 0.85 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995023603-A1 USE OF 2-AMINO-4,5,7,8-TETRAHYDRO-6H-THIAZOLO[5,4-D]AZEPINES SUBSTITUTED IN POSITION 6 AS MEDICAMENTS HAVING AN ANTI-DEPRESSANT EFFECT, AND PREPARATION THEREOF DR. KARL THOMAE GMBH (DE) 1995-09-08 WO claimed
WO-1995023603-A1 USE OF 2-AMINO-4,5,7,8-TETRAHYDRO-6H-THIAZOLO[5,4-D]AZEPINES SUBSTITUTED IN POSITION 6 AS MEDICAMENTS HAVING AN ANTI-DEPRESSANT EFFECT, AND PREPARATION THEREOF DR. KARL THOMAE GMBH (DE) 1995-09-08 WO disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP disclosed