SCHEMBL7990787

SCHEMBL7990787

O=C(Oc1nc(CCCOc2cccc(C(F)(F)F)c2)c[nH]1)C(=O)Oc1nc(CCCOc2cccc(C(F)(F)F)c2)c[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
FAAH O00519 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7994747 0.80 KDM4E (0.45) KMT2AKDM4EALDH1A1GAAUSP2
SCHEMBL4378007 0.78 KMT2A (0.48) KMT2AALDH1A1MEN1
Oxalic Acid SCHEMBL7990786 0.76 KDM4E (0.52) MCL1KMT2AKDM4EALDH1A1GAA
SCHEMBL4385045 0.75 L3MBTL1 (0.47) MCL1KMT2AKDM4EALDH1A1GAA
SCHEMBL7989029 0.73 ATM (0.39) KDM4EALDH1A1GAAL3MBTL1POLB
SCHEMBL7994443 0.73 KMT2A (0.36) KMT2AALDH1A1HTTMEN1POLB
SCHEMBL8794637 0.72 ENPP2 (0.42) MCL1KDM4EALDH1A1GAAUSP2
SCHEMBL16234239 0.72 MCL1 (0.47) MCL1KMT2AKDM4EALDH1A1GAA
SCHEMBL4385050 0.72 LMNA (0.48) MCL1KMT2AKDM4EALDH1A1GAA
SCHEMBL11860150 0.70 PRSS1 (0.55) KDM4EFAAHMRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed