SCHEMBL21500713

SCHEMBL21500713

OCCNc1cc(O)c2c(c1)OCCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL21495178 0.87 SMN1; SMN2 (0.35) MAPTSMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL21500715 0.77 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL21495180 0.77 MTNR1A (0.32) ALDH1A1GAAMTNR1AMTNR1BADRA2A
SCHEMBL3190996 0.72 MAOA (0.37) MAPTSMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL30392289 0.72 MAOA (0.37) MAPTSMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL10033616 0.69 FFAR4 (0.37) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL14390906 0.69 ALOX15 (0.38) MAPTSMN1; SMN2MEN1HTTKMT2A
SCHEMBL8442813 0.68 MAPT (0.67) MAPTSMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL21500712 0.67 ALOX5 (0.31) RAB9A
SCHEMBL15628793 0.67 ALDH1A1 (0.32) ALDH1A1

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-2019202140-A1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING THE APPLICATION OF A CHROMENOL/CHROMEN-2-ONE DERIVATIVE, COMPOSITION AND DEVICE L'OREAL (FR) 2019-10-24 — — WO disclosed
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