SCHEMBL12101247

SCHEMBL12101247

CN(C)C=CC=C(C=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ BCAT1 P54687 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL20707153 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL13609923 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL15701363 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL805450 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL14998033 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL18415027 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL12864658 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL21119144 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL22096091 0.68 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL13301540 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTGAAKMT2A

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-1549283-B1 Cosmetic preparation comprising merocyanine derivatives BASF SE (DE) 2012-09-12 — — EP disclosed
EP-2272490-A2 Stabilization of body-care and household products against degradation by UV radiation using merocyanine derivatives BASF SE (DE) 2011-01-12 — — EP disclosed
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