SCHEMBL13747447

SCHEMBL13747447

CC(=O)c1cc(OCCI)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ F2R P25116 6/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CD69 Q07108 1/20 0.34

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
SCHEMBL12187528 0.86 F2R (0.44) L3MBTL1GAAMAPTALDH1A1NPC1
SCHEMBL10204570 0.85 F2R (0.41) L3MBTL1GAAMAPTALDH1A1NPC1
SCHEMBL1188548 0.85 F2R (0.44) L3MBTL1GAAMAPTALDH1A1NPC1
SCHEMBL1189352 0.85 L3MBTL1 (0.44) L3MBTL1GAAMAPTALDH1A1NPC1
SCHEMBL1205744 0.84 F2R (0.47) L3MBTL1GAAMAPTALDH1A1NPC1
SCHEMBL1204388 0.84 L3MBTL1 (0.46) L3MBTL1GAAMAPTALDH1A1PLA2G2A
SCHEMBL1205039 0.84 F2R (0.46) L3MBTL1GAAMAPTALDH1A1NPC1
SCHEMBL1190221 0.83 CREBBP (0.47) ALDH1A1SMN1; SMN2NR4A1NR4A2NR4A3
SCHEMBL1205102 0.82 MAOB (0.39) L3MBTL1GAAMAPTALDH1A1F2R
SCHEMBL10204506 0.79 MAOB (0.47) GAANPC1POLBCASP3RAB9A

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-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
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