SCHEMBL7109537

SCHEMBL7109537

CC(=O)Oc1ccccc1C(=O)O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTGS2 P35354 5/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2174056 0.83 PTGS2 (0.47) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL4380299 0.72 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL1868204 0.72 KDM4E (0.63) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL3259181 0.71 PTGS2 (0.45) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL2175100 0.71 PTGS2 (0.46) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL3667204 0.70 HSD17B10 (0.65) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL28347679 0.70 PTGS2 (0.56) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL6057627 0.69 HPGD (0.43) HSD17B10KDM4ELMNAHPGDALDH1A1
SCHEMBL2780216 0.69 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL11019069 0.69 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725631-B1 NOVEL METHOD FOR PREPARING DRY PHARMACEUTICALS CAPABLE OF VIRTUALLY INSTANTANEOUS DISINTEGRATION, AND RESULTING PHARMACEUTICALS VACHER DOMINIQUE (FR) 2003-04-02 EP disclosed
EP-0725631-A1 NOVEL METHOD FOR PREPARING DRY PHARMACEUTICALS CAPABLE OF VIRTUALLY INSTANTANEOUS DISINTEGRATION, AND RESULTING PHARMACEUTICALS Vacher, Dominique (FR) 1996-08-14 EP disclosed
WO-1996002237-A1 NOVEL METHOD FOR PREPARING DRY PHARMACEUTICALS CAPABLE OF VIRTUALLY INSTANTANEOUS DISINTEGRATION, AND RESULTING PHARMACEUTICALS VACHER DOMINIQUE (FR) 1996-02-01 WO disclosed