SCHEMBL6202908

SCHEMBL6202908

O=C(Cc1ccccc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
STS P08842 1/20 0.47
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRD5A2 P31213 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
S1PR5 Q9H228 2/20 0.41
PLAU P00749 1/20 0.41
DHFR P00374 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
SCHEMBL9860211 0.94 MEN1 (0.49) MEN1KMT2ASTSNPC1RAB9A
SCHEMBL6203607 0.88 NPC1 (0.47) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL10830967 0.87 DHFR (0.49) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6210554 0.83 MEN1 (0.51) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL11767308 0.83 ELANE (0.52) MEN1KMT2ASTSNPC1RAB9A
SCHEMBL11769443 0.83 MEN1 (0.48) MEN1KMT2ASRD5A2DHFR
SCHEMBL18170299 0.82 NPC1 (0.44) MEN1KMT2AMAPTL3MBTL1NPC1
SCHEMBL6768580 0.82 SRD5A2 (0.56) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL5722254 0.82 MEN1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL225085 0.81 KMT2A (0.65) MEN1KMT2ANPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed