SCHEMBL7035733

SCHEMBL7035733

[CH2]CC(C(C)C)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.40
METAP1 P53582 1/20 0.37
ANPEP P15144 4/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 3/20 0.33
FDPS P14324 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14790297 0.78 LAP3 (0.44) LAP3METAP1ANPEPERAP1ALDH1A1
SCHEMBL8015730 0.76 LAP3 (0.46) LAP3METAP1ANPEPERAP1ALDH1A1
SCHEMBL28539152 0.74 LAP3 (0.44) LAP3METAP1ANPEPERAP1ALDH1A1
SCHEMBL20681735 0.74 LAP3 (0.52) LAP3METAP1ANPEPERAP1ALDH1A1
SCHEMBL5144499 0.72
SCHEMBL14793061 0.72 LAP3 (0.39) LAP3METAP1ANPEPERAP1ALDH1A1
SCHEMBL14623187 0.70 LAP3 (0.37) LAP3METAP1ANPEPERAP1ALDH1A1
SCHEMBL3980150 0.66 FDPS (0.61) LAP3FDPS
SCHEMBL16527470 0.65 FDPS (0.46) LAP3METAP1ANPEPFDPSPGK1
SCHEMBL6684076 0.64

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
US-20030096379-A1 Method for producing tryptamine derivatives BIOCATALYTICS, INC. 2003-05-22 US disclosed
WO-2002079153-A1 METHOD FOR PRODUCING TRYPTAMINE DERIVATIVES BIOCATALYTICS, INC. (US) 2002-10-10 WO disclosed
US-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed
WO-1999032649-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1999-07-01 WO disclosed
US-5916786-A Method for the production of chiral 1,3-aminoalcohols BIOCATALYTICS, INC. (US) 1999-06-29 US disclosed