SCHEMBL949756

SCHEMBL949756

CCOC(=O)C=Cc1cc2cc(OCc3ccccc3)ccc2n1CCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HSP90AA1 P07900 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
F10 P00742 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL949755 1.00 SRD5A2 (0.52) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL949147 0.87 SRD5A2 (0.55) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL949148 0.87 SRD5A2 (0.55) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL946360 0.87 SRD5A2 (0.51) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL946357 0.87 SRD5A2 (0.51) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL1077180 0.85 EGFR (0.46) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL1077182 0.85 EGFR (0.46) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL13791103 0.77 KDM4E (0.56) MEN1KMT2AHSP90AA1NR1H4MAOB
SCHEMBL6938553 0.77 LTB4R (0.54) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL6938556 0.77 LTB4R (0.54) SRD5A2MEN1KMT2ANPC1RAB9A

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
WO-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed