SCHEMBL5814482

SCHEMBL5814482

CCOc1cc(OCC(=O)O)ccc1C(=O)CN1C=C2C=CC(C(=N)N)C(=O)C2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARD Q03181 1/20 0.32
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
TSHR P16473 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.30
EDNRA P25101 2/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL5784707 0.92 HPGD (0.38) L3MBTL1MAPTKDM4EGLAHPGD
SCHEMBL5784542 0.89 HPGD (0.39) MAPTKDM4EPOLBGLAHPGD
SCHEMBL5787100 0.85 ITGB3 (0.41) MAPTITGB3ITGA2B
SCHEMBL5782451 0.85 HPGD (0.46) MAPTKDM4EGLAHPGD
SCHEMBL5787816 0.84 HPGD (0.36) L3MBTL1MAPTKDM4EGLAHPGD
SCHEMBL5785742 0.84 HPGD (0.36) L3MBTL1MAPTKDM4EPOLBTSHR
SCHEMBL5786901 0.82 HPGD (0.35) L3MBTL1MAPTKDM4EPOLBGLA
SCHEMBL5784006 0.80 HPGD (0.36) L3MBTL1MAPTKDM4EPOLBGLA
SCHEMBL5783451 0.80 TPSAB1 (0.37) L3MBTL1MAPTKDM4EPOLBHPGD
SCHEMBL5785104 0.79 RAB9A (0.36) MAPTKDM4ETSHRGLA

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-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed