SCHEMBL19620304

SCHEMBL19620304

CCOC(=O)C1CCN(Cc2ccc3c(CC)cccc3c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
ALDH1A1 P00352 6/20 0.63
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
CCR8 P51685 1/20 0.61
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
ATM Q13315 1/20 0.56
ENPP2 Q13822 2/20 0.56
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL15564843 0.89 KDM4E (0.65) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL7302723 0.85 CCR8 (0.70) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL15565341 0.83 ENPP2 (0.81) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL20953370 0.83 ENPP2 (0.81) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL15565343 0.83 ENPP2 (0.81) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL15564373 0.82 ENPP2 (0.83) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL15564750 0.82 ENPP2 (0.83) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL15564416 0.82 ENPP2 (0.56) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL15565705 0.82 ENPP2 (0.83) KDM4EALDH1A1MAPTSMN1; SMN2CCR8
SCHEMBL20404066 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MAPTSMN1; SMN2CCR8

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-2879674-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-11-22 EP disclosed