SCHEMBL3742604

SCHEMBL3742604

Nc1cccc(C(=O)CCC(=O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 1/20 0.44
GAA P10253 2/20 0.43
CYP2C19 P33261 1/20 0.43
ADAM17 P78536 1/20 0.42
MEN1 O00255 1/20 0.42
HIF1A Q16665 2/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7336041 0.85 NR4A2 (0.55) NR4A2KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL14100100 0.84 MMP2 (0.61) NR4A2KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL30852401 0.84 G6PD (0.61) NR4A2KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2419751 0.84 G6PD (0.61) NR4A2KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11632071 0.82 KMT2A (0.47) NR4A2KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL9631839 0.81 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1CYP1A2POLB
SCHEMBL9629932 0.80 NR4A2 (0.55) NR4A2KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL9630981 0.79 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1POLBHSD17B10
SCHEMBL10582732 0.79 MMP2 (0.44) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL9631015 0.77 ALDH1A1 (0.50) KMT2AKDM4EALDH1A1POLBHSD17B10

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-8841077-B2 Biomarkers for amyotrophic lateral sclerosis and methods using the same MASSACHUSETTS GENERAL HOSPITAL (US) 2014-09-23 US disclosed
US-20130309697-A1 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME MITCHELL MATTHEW W (US) 2013-11-21 US disclosed
US-8518650-B2 Biomarkers for prostate cancer and methods using the same METABOLON, INC. (US) 2013-08-27 US disclosed
US-20100292331-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABALON, INC. (US) 2010-11-18 US disclosed
US-20070298998-A1 Biomarkers for amyotrophic lateral sclerosis and methods using the same METABOLON, INC. (US) 2007-12-27 US disclosed