SCHEMBL9546410

SCHEMBL9546410

C=C(C)COc1ccc(C(C)(c2ccccc2)c2ccc(OCC(=C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR174 Q9BXC1 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ POLB P06746 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CASP3 P42574 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
SCHEMBL23084956 0.83 MAOB (0.45) GPR174SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL203601 0.82 SMN1; SMN2 (0.49) GPR174SMN1; SMN2ESR1ESR2POLB
SCHEMBL1246219 0.82 SMN1; SMN2 (0.62) GPR174SMN1; SMN2POLBLMNAMAPK1
SCHEMBL1486040 0.82 GPR174 (0.62) GPR174SMN1; SMN2LMNAKMT2AMEN1
Hydrogen Sulfide SCHEMBL28153011 0.80 GPR174 (0.60) GPR174SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2020142 0.80 GPR174 (0.60) GPR174SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10338925 0.80 GPR174 (0.58) GPR174SMN1; SMN2POLBLMNAMAPK1
SCHEMBL2429681 0.79 GPR174 (0.59) GPR174SMN1; SMN2POLBLMNAMAPK1
SCHEMBL7438279 0.79 GPR174 (0.59) GPR174SMN1; SMN2POLBRAB9AGAA
SCHEMBL15426838 0.78 MEN1 (0.53) SMN1; SMN2POLBLMNAMAPK1KMT2A

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
JP-5186382-A — — None — — JP disclosed
JP-H05186382-A METHALLYLPHENOL COMPOUND TOAGOSEI CHEM IND CO LTD 1993-07-27 — — JP disclosed
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