SCHEMBL14091201

SCHEMBL14091201

C=C(CC)On1ccccc1=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ LOXL3 P58215 1/20 0.38
▸ LOXL4 Q96JB6 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CA3 P07451 1/20 0.33

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
SCHEMBL13390203 0.79 RAB9A (0.38) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL14091762 0.76 ESR1 (0.38) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL13019256 0.73 ESR1 (0.42) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL13390396 0.72 RAB9A (0.38) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL20364311 0.72 RAB9A (0.40) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18116961 0.71 ESR1 (0.41) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18840226 0.71 RAB9A (0.41) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18840223 0.71 KMT2A (0.42) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL19661200 0.69 ESR1 (0.42) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18116965 0.69 MAPT (0.45) RAB9ACA12ALDH1A1LMNAMAPT

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-2008104436-A1 HYDROXAMIC ESTERS AS PHOTOINITIATORS LAMBERTI SPA (IT) 2008-09-04 — — WO disclosed
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