SCHEMBL7657461

SCHEMBL7657461

CCOC(=O)C=C1CCc2cc(Cl)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 12/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
XBP1 P17861 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL7550064 0.85 MAPK14 (0.33) ALOX15HPGDALDH1A1KDM4EHSD17B10
SCHEMBL7657650 0.71 MTNR1A (0.44) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL7549087 0.70 SLC6A3 (0.38) HPGDALDH1A1KDM4EMAPTUSP2
SCHEMBL7546750 0.70 BRD4 (0.50) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8122601 0.68 ALDH1A1 (0.48) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL7653239 0.67 ALOX15 (0.36) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL7653241 0.67 ALOX15 (0.36) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL7550297 0.66 GRIN1 (0.41) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL8123821 0.65 KDM4E (0.51) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL6220087 0.63 ALOX15 (0.52) ALOX15HPGDALDH1A1CYP1A2XBP1

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