SCHEMBL9361467

SCHEMBL9361467

CC(C)(CNCC(O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CTSV O60911 4/20 0.40
▸ CTSL P07711 4/20 0.40
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ ADRB3 P13945 3/20 0.37
▸ ADRB2 P07550 2/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 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
SCHEMBL9360806 0.81 ADRB2 (0.53) SMN1; SMN2ADRB3ADRB2ADRB1ADRA1D
SCHEMBL31603899 0.78 CTSV (0.51) CTSVCTSLPDCD1CD274POLB
SCHEMBL718147 0.71 CTSV (0.52) SMN1; SMN2CTSVCTSLPDCD1CD274
SCHEMBL4594348 0.71 CTSV (0.52) CTSVCTSLPOLBADRA1DADRA1A
SCHEMBL2671920 0.71 CTSV (0.52) SMN1; SMN2CTSVCTSLPDCD1CD274
SCHEMBL29897031 0.71 CTSV (0.52) SMN1; SMN2CTSVCTSLPDCD1CD274
SCHEMBL718146 0.71 CTSV (0.52) SMN1; SMN2CTSVCTSLPDCD1CD274
SCHEMBL5099246 0.71 CTSV (0.52) CTSVCTSLPOLBADRA1DADRA1A
SCHEMBL29896946 0.71 CTSV (0.52) SMN1; SMN2CTSVCTSLPDCD1CD274
SCHEMBL10554925 0.71 CTSV (0.54) NPC1RAB9ASMN1; SMN2CTSVCTSL

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-0390762-B1 New bronchospasmolytic compounds and process for their preparation DRACO AB (SE) 1994-01-19 — — EP disclosed
EP-0390762-A1 New bronchospasmolytic compounds and process for their preparation Aktiebolaget Draco (SE) 1990-10-03 — — EP disclosed
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