SCHEMBL852497

SCHEMBL852497

CCOC(=O)Cc1ccccc1C1CN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.44
S1PR1 P21453 2/20 0.44
SIGMAR1 Q99720 3/20 0.44
USP30 Q70CQ3 1/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1809109 0.88 L3MBTL1 (0.41) S1PR5S1PR1SIGMAR1USP30RORC
SCHEMBL1809107 0.88 L3MBTL1 (0.41) S1PR5S1PR1SIGMAR1USP30RORC
SCHEMBL4484948 0.82 TSHR (0.46) S1PR5S1PR1SIGMAR1USP30RORC
SCHEMBL1897605 0.80 S1PR5 (0.49) S1PR5S1PR1RORCALDH1A1
SCHEMBL13041176 0.80 S1PR5 (0.49) S1PR5S1PR1RORCALDH1A1
SCHEMBL5575775 0.80 LMNA (0.45) S1PR5S1PR1SIGMAR1USP30RORC
SCHEMBL1805174 0.80 L3MBTL1 (0.43) S1PR5S1PR1SIGMAR1L3MBTL1
SCHEMBL1805177 0.80 L3MBTL1 (0.43) S1PR5S1PR1SIGMAR1L3MBTL1
SCHEMBL1805170 0.80 L3MBTL1 (0.43) S1PR5S1PR1SIGMAR1L3MBTL1
SCHEMBL1896746 0.77 USP30 (0.51) S1PR5S1PR1SIGMAR1USP30RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed