SCHEMBL12040004

SCHEMBL12040004

COc1ccc(-c2cc(-c3ccc(CO)cc3)[o+]c(-c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ MAOB P27338 2/20 0.45
▸ ERN1 O75460 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL13079694 0.86 NPC1 (0.57) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL12386386 0.86 NPC1 (0.57) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL6688965 0.86 NPC1 (0.55) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL13222288 0.85 MAOB (0.46) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL6285826 0.84 MAOB (0.59) NPC1TP53MAPK1CASP3RAB9A
Perchlorate SCHEMBL9177362 0.83 NPC1 (0.47) NPC1TP53MAPK1CASP3RAB9A
Perchlorate SCHEMBL11044837 0.83 NPC1 (0.51) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL9175782 0.80 MAOB (0.41) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL11050461 0.80 ABL1 (0.50) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL6685513 0.80 ABL1 (0.55) NPC1TP53MAPK1CASP3RAB9A

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
US-20110318689-A1 LIGHT-SENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2011-12-29 — — US disclosed
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