SCHEMBL8859326

SCHEMBL8859326

CCC(C)(C)c1ccc(NC2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH3 Q9Y5N1 10/20 0.40
▸ MAOB P27338 5/20 0.40

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
SCHEMBL25039454 0.84 CNR2 (0.38) CNR2MAPTPOLBHRH3MAOB
SCHEMBL25041979 0.84 CNR2 (0.48) CNR2
SCHEMBL25042383 0.84 EPHX1 (0.41) CNR2EPHX1EPHX2MAPTLMNA
SCHEMBL25041549 0.83 CNR2 (0.38) CNR2MAPTLMNAMAPK1HSD17B10
SCHEMBL9311625 0.82 EPHX2 (0.59) CNR2EPHX1EPHX2MAPTLMNA
SCHEMBL25041455 0.80 DRD2 (0.36) CNR2MAPTPOLBALDH1A1TDP1
SCHEMBL25041559 0.79 SPHK1 (0.42) CNR2MAPTKDM4EMEN1ALDH1A1
SCHEMBL25041901 0.79 CNR2 (0.39) CNR2MAPTALDH1A1KMT2AHRH3
SCHEMBL25041904 0.78 CNR2 (0.40) CNR2MAPTHRH3MAOB
SCHEMBL3400048 0.78 MAPT (0.61) EPHX1MAPTLMNAPOLBGAA

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-1775335-B1 Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2012-05-23 — — EP disclosed
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