SCHEMBL23813386

SCHEMBL23813386

C#CCOc1ccc(C(C)(c2ccccc2)c2ccc(OCC#C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.48
▸ MAOA P21397 7/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ GSTP1 P09211 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40

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
SCHEMBL4278557 0.93 CA12 (0.49) MAOBMAOASMN1; SMN2GSTP1CA12
SCHEMBL8507007 0.90 SMN1; SMN2 (0.57) MAOBMAOASMN1; SMN2ESR1ESR2
SCHEMBL15803992 0.88 CA12 (0.45) MAOBMAOASMN1; SMN2GSTP1CA12
SCHEMBL14222920 0.85 ESR1 (0.47) MAOBMAOAESR1ESR2GSTP1
SCHEMBL8161375 0.82 CA12 (0.49) MAOBMAOASMN1; SMN2GSTP1CA12
SCHEMBL5104116 0.82 SMN1; SMN2 (0.50) MAOBMAOASMN1; SMN2GSTP1CA12
SCHEMBL23084956 0.81 MAOB (0.45) MAOBMAOASMN1; SMN2GSTP1MEN1
SCHEMBL22182453 0.80 ESR1 (0.47) MAOBMAOASMN1; SMN2ESR1ESR2
SCHEMBL13592453 0.80 GSTP1 (0.42) MAOBMAOAGSTP1CA12CA1
SCHEMBL72587 0.79 MAOB (0.56) MAOBMAOAGSTP1CA12CA1

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-20210286267-A1 COMPOSITION, RESIST UNDERLAYER FILM, AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2021-09-16 — — US disclosed
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