SCHEMBL1808415

SCHEMBL1808415

CCOC(=O)c1cc(CCOC2CCCCO2)on1.O=C(O)c1cc(CCOC2CCCCO2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
POLB P06746 2/20 0.37
CREBBP Q92793 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1809242 0.96 NPC1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1808138 0.90 MEN1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7475630 0.85 NPC1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7476046 0.79 KMT2A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14061234 0.77 KDM4C (0.40) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL1811154 0.77 S1PR1 (0.42) NPC1RAB9ASMN1; SMN2S1PR1S1PR3
SCHEMBL4193984 0.73 FAAH (0.40) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL4193957 0.72 KMT2A (0.39) MEN1KMT2AKDM4CADORA3CREBBP
SCHEMBL2249806 0.72 CREBBP (0.40) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL1808675 0.72 S1PR1 (0.45) 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
EP-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed