SCHEMBL5672308

SCHEMBL5672308

N[C@@H](Cc1c(F)cc(F)cc1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 2/20 0.50
ALOX15 P16050 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
BLM P54132 2/20 0.50
RGS12 O14924 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
CASP1 P29466 1/20 0.50
BRCA1 P38398 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL28551296 1.00 USP2 (0.50) USP2MAPTPKMALOX15HIF1A
SCHEMBL5672304 1.00 USP2 (0.50) USP2MAPTPKMALOX15HIF1A
SCHEMBL296982 0.87 USP2 (0.53) USP2MAPTPKMALOX15HIF1A
SCHEMBL296983 0.87 USP2 (0.53) USP2MAPTPKMALOX15HIF1A
SCHEMBL20722991 0.85 USP2 (0.47) USP2MAPTPKMALOX15HIF1A
SCHEMBL20722707 0.85 USP2 (0.47) USP2MAPTPKMALOX15HIF1A
Hydrochloric Acid SCHEMBL20722739 0.84 USP2 (0.46) USP2MAPTPKMALOX15HIF1A
Hydrochloric Acid SCHEMBL20722737 0.84 USP2 (0.46) USP2MAPTPKMALOX15HIF1A
SCHEMBL24804587 0.82 USP2 (0.45) USP2MAPTPKMALOX15HIF1A
SCHEMBL25173096 0.81 GRM6 (0.43) USP2MAPTPKMALOX15HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499825-B2 Dual inducible system for the condensed single protein production system RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-11-22 US disclosed
US-20130029426-A1 Dual Inducible System for the cSPP System UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-01-31 US disclosed
EP-1272839-A4 METHOD AND APPARATUS FOR PREDICTING LIGAND BINDING INTERACTIONS CALIFORNIA INST OF TECHN (US) 2006-03-01 EP disclosed
EP-1272839-A1 METHOD AND APPARATUS FOR PREDICTING LIGAND BINDING INTERACTIONS California Institute of Technology (US) 2003-01-08 EP disclosed
US-20020099506-A1 Methods and apparatus for predicting ligand binding interactions REVLON CONSUMER PRODUCTS CORPORATION 2002-07-25 US disclosed
WO-2001071347-A1 METHOD AND APPARATUS FOR PREDICTING LIGAND BINDING INTERACTIONS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2001-09-27 WO disclosed