SCHEMBL8555482

SCHEMBL8555482

Cc1onc(ON)c1CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA2 P42262 1/20 0.46
GRIA4 P48058 1/20 0.46
FFAR4 Q5NUL3 1/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL314801 0.78 MEN1 (0.45) HSD17B10NPSR1KDM4EGAAALDH1A1
SCHEMBL4437207 0.76 NPSR1 (0.41) GRIA1GRIA3GRIA2GRIA4FFAR4
SCHEMBL84167 0.68 GLA (0.35) GRIA1GRIA3GRIA2GRIA4KDM4E
SCHEMBL17755880 0.67 MITF (0.38) FFAR4NPSR1ALDH1A1L3MBTL1LMNA
SCHEMBL12500526 0.67 P2RX7 (0.44) GAAALDH1A1L3MBTL1ATMTDP1
SCHEMBL13319961 0.67 GRIA1 (0.61) GRIA1GRIA3GRIA2GRIA4ALDH1A1
SCHEMBL11628784 0.67 TDP1 (0.40) NPSR1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL9145600 0.66 GRIA1 (0.38) GRIA1GRIA3GRIA2GRIA4GAA
SCHEMBL8609634 0.66 GRIA1 (0.40) GRIA1GRIA3GRIA2GRIA4GAA
SCHEMBL28830916 0.64 NPSR1 (0.50) HSD17B10NPSR1KDM4EGAAALDH1A1

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-0859763-A1 DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS Bearsden Bio, Inc. (US) 1998-08-26 EP claimed
WO-1998056752-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1998-12-17 WO disclosed