SCHEMBL19064516

SCHEMBL19064516

N[C@@H](CC(=O)O)C(=O)c1ccccc1-c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL30367223 0.87 KDM4E (0.48) KDM4EHIF1ATDP1AKR1B1ALDH1A1
SCHEMBL6069780 0.81 KDM4E (0.49) KDM4EHIF1ATDP1AKR1B1ALDH1A1
SCHEMBL31013216 0.79 KDM4E (0.63) KDM4EHIF1ATDP1AKR1B1ALDH1A1
SCHEMBL15361966 0.77 MAPT (0.47) KDM4EHIF1ATDP1ALDH1A1HPGD
SCHEMBL4552093 0.76 ERCC5 (0.45) HPGDSMN1; SMN2TSHRGABBR2GABBR1
SCHEMBL29011362 0.75 CA12 (0.47) KDM4EHIF1ATDP1AKR1B1ALDH1A1
SCHEMBL7948114 0.75 KDM4E (0.43) KDM4EHIF1ATDP1AKR1B1ALDH1A1
SCHEMBL2852379 0.75 GPR35 (0.45) KDM4EHIF1ATDP1SMN1; SMN2TSHR
SCHEMBL2510734 0.74 MMP2 (0.49) KDM4EHIF1ATDP1ALDH1A1HPGD
SCHEMBL29524852 0.73 KDM4E (0.52) KDM4EHIF1ATDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855674-B2 Methods for making lignocellulose composite products with oxidative binders and encapsulated catalyst GEORGIA-PACIFIC CHEMICALS LLC (US) 2018-01-02 US disclosed
US-20170190073-A1 METHODS FOR MAKING LIGNOCELLULOSE COMPOSITE PRODUCTS WITH OXIDATIVE BINDERS AND ENCAPSULATED CATALYST GEORGIA-PACIFIC CHEMICALS LLC (US) 2017-07-06 US disclosed