SCHEMBL3841981

SCHEMBL3841981

CC(C)c1c[nH]c(=[Ru](Cl)(Cl)(=Cc2ccccc2)=c2[nH]cc(C(C)C)n2C(C)C)n1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL819423 0.67 MEN1 (0.41) KDM4EALDH1A1HPGD
SCHEMBL818809 0.65 CYP2D6 (0.34) HPGD
SCHEMBL7950846 0.63 CYP2D6 (0.44) KDM4EALDH1A1HPGD
SCHEMBL26474088 0.60 ALDH1A1 (0.38) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL2756177 0.55 HSD17B10 (0.31) ALDH1A1HPGD
SCHEMBL16105690 0.52 AHR (0.52) KDM4EALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL16105692 0.52 AHR (0.52) KDM4EALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL16105818 0.52 AHR (0.52) KDM4EALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL16105804 0.52 KDM4E (0.59) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6546345 0.52 KDM4E (0.59) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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-2017308-A1 OXYGEN-ABSORBING RESIN COMPOSITION Kuraray Co., Ltd. (JP) 2009-01-21 EP disclosed