SCHEMBL16623299

SCHEMBL16623299

COc1cc(OC)c2oc(COC(C)Nc3ccc4c(C)cc(=O)oc4c3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 2/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
ALDH2 P05091 1/20 0.40
CA4 P22748 1/20 0.40
FFAR1 O14842 1/20 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
SCHEMBL31679660 0.82 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL118238 0.82 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13076863 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL118917 0.81 NPC1 (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31679666 0.81 NPC1 (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11886588 0.74 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11886568 0.73 NPC1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL16623292 0.73 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL118274 0.69 NPC1 (0.61) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL12473679 0.69 CA12 (0.67) KDM4EALDH1A1HPGDHSD17B10SMN1; 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-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed