SCHEMBL7420164

SCHEMBL7420164

N[C@@H](Cc1ccc(O)cc1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC7A5 Q01650 2/20 0.46
TAAR1 Q96RJ0 3/20 0.46
SLC6A2 P23975 1/20 0.46
EPHX1 P07099 1/20 0.42
KIF11 P52732 1/20 0.42
ANPEP P15144 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41

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
SCHEMBL475673 0.91 KDM4E (0.59) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL1153713 0.91 KDM4E (0.59) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL1153711 0.91 KDM4E (0.59) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL6579390 0.80 HTR2A (0.53) KDM4ELMNAMAPK1
SCHEMBL6579394 0.80 HTR2A (0.53) KDM4ELMNAMAPK1
SCHEMBL7875715 0.78 KDM4E (0.77) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL7875720 0.78 KDM4E (0.77) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL7566427 0.76 TAAR1 (0.57) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL27549428 0.76 EPHX1 (0.74) SLC7A5TAAR1SLC6A2EPHX1ANPEP
Hydrochloric Acid SCHEMBL29101369 0.75 KDM4E (0.58) KDM4ELMNAMAPK1SLC7A5TAAR1

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-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed