SCHEMBL7653239

SCHEMBL7653239

CCOC(=O)/C=C/CCc1cc(Cl)cc2[nH]c(C(=O)OC)c(I)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 12/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7653241 1.00 ALOX15 (0.36) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7658317 0.79 ALOX15 (0.41) ALOX15MAPT
SCHEMBL7658321 0.79 ALOX15 (0.41) ALOX15MAPT
SCHEMBL7547774 0.76 FBP1 (0.32) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7547773 0.76 FBP1 (0.32) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7657461 0.67 ALOX15 (0.38) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7550281 0.66 ULK1 (0.35) ALOX15
SCHEMBL7550279 0.66 ULK1 (0.35) ALOX15
SCHEMBL8122601 0.66 ALDH1A1 (0.48) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8123821 0.63 KDM4E (0.51) ALOX15ALDH1A1KDM4EHPGDHSD17B10

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
US-6495587-B1 TREATING A DAMAGE TO THE CENTRAL NERVOUS SYSTEM INDUCED BY AN ISCHEMIC OR HYPOXIC CONDITION AND STROKE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-12-17 US disclosed
EP-1163220-A1 TRICYCLIC INDOLE-2-CARBOXYLIC ACID COMPOUND USED AS NMDA RECEPTOR ANTAGONIST SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-19 EP disclosed
WO-2000056711-A1 TRICYCLIC INDOLE-2-CARBOXYLIC ACID COMPOUND USED AS NMDA RECEPTOR ANTAGONIST SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2000-09-28 WO disclosed