SCHEMBL1661482

SCHEMBL1661482

O=C(O)Cc1cc2c[c]ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
AKR1B1 P15121 1/20 0.37
PPARG P37231 1/20 0.37
NLRP3 Q96P20 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL1662293 0.85 CYP1A2 (0.41) KDM4EHSD17B10PPARGMTNR1AMTNR1B
SCHEMBL5777259 0.81 SMN1; SMN2 (0.40) SIRT1KDM4EALDH1A1MAPTMEN1
SCHEMBL1661108 0.81 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHSD17B10MTNR1A
Water SCHEMBL30025993 0.79 LOXL2 (0.55) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5777838 0.79 SMN1; SMN2 (0.50) SIRT1KDM4EALDH1A1MAPTMEN1
SCHEMBL2562389 0.79 RHEB (0.36) SIRT1MTNR1AMTNR1BLOXL2
SCHEMBL693847 0.78 PYGL (0.42) KDM4EMAPTKMT2ANLRP3SMN1; SMN2
SCHEMBL49270 0.77 LOXL2 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31336079 0.77 LOXL2 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29365671 0.77 LOXL2 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed