SCHEMBL3146899

SCHEMBL3146899

NC(N)(Oc1ccccc1C(=O)O)Oc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 9/20 0.53
HSD17B10 Q99714 6/20 0.53
HPGD P15428 6/20 0.53
HMGB1 P09429 2/20 0.53
NAPRT Q6XQN6 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
PDE3A Q14432 1/20 0.52
KMT2A Q03164 2/20 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
SCHEMBL4643007 0.82 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL4645695 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL29374906 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL4644626 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL219675 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL2110850 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL31336377 0.80 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL282647 0.80 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL5511434 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL3360162 0.78 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDHMGB1

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-7759434-B2 Ionically and/or organometallically functionalized silicone polymers crosslinkable to high-strength elastomers WACKER CHEMIE AG (DE) 2010-07-20 US disclosed
US-20080293878-A1 Ionically and/or Organometallically Functionalized Silicone Polymers Crosslinkable to High-Strength Elastomers WACKER CHEMIE AG (DE) 2008-11-27 US disclosed