SCHEMBL11250873

SCHEMBL11250873

Oc1ccc2c(c1)c(-c1ccccc1)c1n2CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX5 P09917 7/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 1/20 0.45
ESR1 P03372 3/20 0.41
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 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
SCHEMBL11255436 0.86 GAA (0.50) GAAALDH1A1ALOX15ALOX5PTGS1
SCHEMBL11260529 0.85 GAA (0.48) GAAALDH1A1ALOX15ALOX5PTGS1
SCHEMBL11263577 0.83 GAA (0.47) GAAALDH1A1ALOX15ALOX5PTGS1
SCHEMBL11500212 0.82 GAA (0.47) GAAALDH1A1ALOX15ALOX5PTGS1
SCHEMBL11250723 0.80 GAA (0.44) GAAALDH1A1ALOX15ALOX5PTGS1
SCHEMBL30819801 0.72 GAA (0.53) GAAALDH1A1ALOX15ALOX5PTGS1
SCHEMBL11266222 0.71 GAA (0.48) GAAALDH1A1ALOX15MAPK1CYP1A2
SCHEMBL13094665 0.71 MEN1 (0.49) ALDH1A1ALOX15ALOX5PTGS1LMNA
SCHEMBL10426523 0.69 ALOX5 (0.45) ALDH1A1ALOX5PTGS1ESR1LMNA
SCHEMBL11265814 0.67 SMN1; SMN2 (0.51) GAAALDH1A1ALOX15ALOX5PTGS1

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-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 EP disclosed
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 EP disclosed