SCHEMBL8591091

SCHEMBL8591091

NCCC[C@H](NC(=O)Nc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ EPHX1 P07099 3/20 0.46
▸ CA2 P00918 2/20 0.46
▸ UTS2R Q9UKP6 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ IDE P14735 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL9195867 0.80 IDE (0.52) MEN1KMT2AL3MBTL1IDE
Hydrochloric Acid SCHEMBL9196037 0.79 HPGDS (0.56) HPGDS
SCHEMBL8365170 0.79 RAB9A (0.49) RAB9ANPC1MAPTEPHX1MEN1
SCHEMBL9195141 0.78 RAB9A (0.50) RAB9ANPC1MAPTEPHX1CA2
SCHEMBL9195147 0.78 RAB9A (0.50) RAB9ANPC1MAPTEPHX1CA2
SCHEMBL9489894 0.77 MEN1 (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8362464 0.76 LTA4H (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL29687055 0.76 RAB9A (0.58) RAB9ANPC1MAPTEPHX1CA2
SCHEMBL6875755 0.76 RAB9A (0.58) RAB9ANPC1MAPTEPHX1CA2
SCHEMBL9203772 0.73 ITGB3 (0.54) POLB

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
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 — — US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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