SCHEMBL4624899

SCHEMBL4624899

c1ccc(COp2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ GLA P06280 1/20 0.35

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
SCHEMBL14016937 0.82 KCNH2 (0.36) NPC1RAB9AL3MBTL1KDM4EABCG2
SCHEMBL13443555 0.81 MAPT (0.39) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL14016888 0.79 CNR2 (0.34) NPC1RAB9AL3MBTL1KDM4EABCG2
SCHEMBL4625205 0.78 AHR (0.36) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL13443556 0.77 TDP1 (0.42) MAPTL3MBTL1ABCG2CYP1A2HPGD
SCHEMBL31522127 0.76 ABCG2 (0.39) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL31522126 0.76 ABCG2 (0.39) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL4625191 0.76 ABCG2 (0.39) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL31522128 0.76 ABCG2 (0.39) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL13443557 0.76 TDP1 (0.38) NPC1RAB9AMAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 — — EP claimed
EP-1394168-A1 Process for the preparation of phosphites and complexes with transition metals Bayer Chemicals AG (DE) 2004-03-03 — — EP claimed
EP-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 — — EP disclosed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 — — US disclosed
EP-1394168-A1 Process for the preparation of phosphites and complexes with transition metals Bayer Chemicals AG (DE) 2004-03-03 — — EP disclosed
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