SCHEMBL9620656

SCHEMBL9620656

CCCOc1ccc(-c2ccc(CCC)cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.74
MAPT P10636 6/20 0.74
RAB9A P51151 7/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
THRB P10828 2/20 0.61
NPC1 O15118 5/20 0.58
TP53 P04637 2/20 0.58
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MAPK1 P28482 1/20 0.54
PKM P14618 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52

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
SCHEMBL10462047 0.98 SMN1; SMN2 (0.73) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10559277 0.97 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10557393 0.97 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10556600 0.97 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL9620740 0.94 RAB9A (0.74) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10461297 0.92 RAB9A (0.72) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10560144 0.91 RAB9A (0.70) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL9620763 0.91 RAB9A (0.74) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10557803 0.91 RAB9A (0.70) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10558732 0.91 RAB9A (0.70) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3

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
EP-0283490-B1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed