SCHEMBL8699559

SCHEMBL8699559

CC(=O)Oc1ccccc1C(=O)Oc1ccc(N)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.73
HSD17B10 Q99714 5/20 0.73
LMNA P02545 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
ALDH1A1 P00352 4/20 0.62
HPGD P15428 4/20 0.62
PTGS2 P35354 3/20 0.62
PTGS1 P23219 2/20 0.62
TSHR P16473 2/20 0.62
ESR1 P03372 1/20 0.62
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
HMGB1 P09429 1/20 0.62
GGT1 P19440 1/20 0.62
BLM P54132 1/20 0.62
NAPRT Q6XQN6 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CFD P00746 2/20 0.55
MAPK1 P28482 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
Aspirin SCHEMBL22972824 0.93 KDM4E (0.73) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL5604181 0.90 KDM4E (0.76) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL31618292 0.88 CFD (0.69) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL138320 0.88 CFD (0.69) KDM4EHSD17B10LMNACYP1A2CYP2C9
Methoxymethane SCHEMBL5317565 0.85 CFD (0.65) KDM4EHSD17B10LMNACYP1A2CYP2C9
Diplosalsalate SCHEMBL30590970 0.85 KDM4E (1.00) KDM4EHSD17B10LMNACYP1A2CYP2C9
Diplosalsalate SCHEMBL25398 0.85 KDM4E (1.00) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL2473332 0.85 KDM4E (1.00) KDM4EHSD17B10LMNACYP1A2CYP2C9
Diplosalsalate SCHEMBL25303461 0.84 KDM4E (0.97) KDM4EHSD17B10LMNACYP1A2CYP2C9
Aspirin SCHEMBL2467028 0.83 KDM4E (0.67) KDM4EHSD17B10LMNACYP1A2CYP2C9

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
WO-1998022114-A1 A METHOD FOR PROMOTING TISSUE REPAIR DUMEX-ALPHARMA A/S (DK) 1998-05-28 WO disclosed