SCHEMBL22182453

SCHEMBL22182453

C#CCOc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OCC#C)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GSTP1 P09211 1/20 0.45
▸ MAOA P21397 6/20 0.44
▸ MAOB P27338 6/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ACHE P22303 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ALDH1A1 P00352 3/20 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
SCHEMBL8507007 0.90 SMN1; SMN2 (0.57) ESR1ESR2SMN1; SMN2GSTP1MAOA
SCHEMBL8161375 0.90 CA12 (0.49) SMN1; SMN2GSTP1MAOAMAOBMEN1
SCHEMBL15803992 0.85 CA12 (0.45) SMN1; SMN2GSTP1MAOAMAOBMEN1
SCHEMBL14962795 0.83 MAOA (0.46) SMN1; SMN2GSTP1MAOAMAOBMEN1
SCHEMBL12516724 0.82 ESR1 (0.53) ESR1ESR2SMN1; SMN2GSTP1MAOA
SCHEMBL13020406 0.82 CA12 (0.42) SMN1; SMN2GSTP1MAOAMAOBMEN1
SCHEMBL18974742 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GSTP1MAOAMAOBMEN1
SCHEMBL23813386 0.80 MAOB (0.48) ESR1ESR2SMN1; SMN2GSTP1MAOA
SCHEMBL14962823 0.79 SMN1; SMN2 (0.45) SMN1; SMN2GSTP1MAOAMAOBMEN1
SCHEMBL4278557 0.79 CA12 (0.49) SMN1; SMN2GSTP1MAOAMAOBACHE

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-2020140108-A1 HIGH TEMPERATURE, CONDUCTIVE THERMOSETTING RESIN COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-07-02 — — WO disclosed
Send feedback