SCHEMBL21495178

SCHEMBL21495178

CCCNc1cc(O)c2c(c1)OCCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MTNR1A P48039 5/20 0.33
▸ MTNR1B P49286 4/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 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
SCHEMBL21500713 0.87 MAPT (0.35) SMN1; SMN2MAPTHSD17B10ALDH1A1MEN1
SCHEMBL21500715 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KMT2AMTNR1A
SCHEMBL26472168 0.74 QPCT (0.43) SMN1; SMN2MAPTHSD17B10ALDH1A1MEN1
SCHEMBL10033616 0.72 FFAR4 (0.37) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL20852361 0.71 TRPV1 (0.48) SMN1; SMN2ALDH1A1TSHRHTTRAB9A
SCHEMBL31545359 0.71 TRPV1 (0.48) SMN1; SMN2ALDH1A1TSHRHTTRAB9A
SCHEMBL30392289 0.71 MAOA (0.37) SMN1; SMN2MAPTHSD17B10ALDH1A1MEN1
SCHEMBL3190996 0.71 MAOA (0.37) SMN1; SMN2MAPTHSD17B10ALDH1A1MEN1
SCHEMBL13603018 0.69 SMN1; SMN2 (0.41) SMN1; SMN2MAPTHSD17B10ALDH1A1MEN1
SCHEMBL14390906 0.68 ALOX15 (0.38) SMN1; SMN2MAPTMEN1KMT2AHTT

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
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
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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