SCHEMBL6689504

SCHEMBL6689504

CCOc1nc(-c2ccc(OCCO)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
MALT1 Q9UDY8 7/20 0.43
OXTR P30559 7/20 0.40
AVPR1A P37288 6/20 0.38
AVPR2 P30518 3/20 0.37

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
SCHEMBL6686662 0.87 PTGS1 (0.47) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6681239 0.84 PTGS1 (0.64) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6688259 0.83 RAB9A (0.49) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6680338 0.80 L3MBTL1 (0.43) PTGS1PTGS2MALT1OXTR
SCHEMBL6680320 0.80 PTGS1 (0.58) PTGS1PTGS2MALT1
SCHEMBL5148739 0.80 BCL2 (0.43) PTGS1PTGS2OXTRAVPR1AAVPR2
SCHEMBL6682903 0.79 PTGS1 (0.47) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL4026247 0.79 PTGS1 (0.76) PTGS1PTGS2MALT1
SCHEMBL6685914 0.78 L3MBTL1 (0.41) PTGS1PTGS2MALT1OXTR
SCHEMBL6684505 0.78 PTGS1 (0.64) PTGS1PTGS2MALT1OXTRAVPR1A

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-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed