SCHEMBL20320889

SCHEMBL20320889

C=C/C=C(\C=C/NCCCCCC)/C=C/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL20320891 0.89 EGFR (0.38) EGFRINSRHDAC3HDAC1HDAC2
SCHEMBL20329172 0.88 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL20320720 0.85 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20317380 0.82 NPC1 (0.32) MEN1USP2ALDH1A1POLBMAPT
SCHEMBL14817853 0.78 MAPK1 (0.33) MEN1USP2ALDH1A1POLBMAPT
SCHEMBL17001516 0.77 NPC1 (0.34) MEN1USP2ALDH1A1POLBMAPT
SCHEMBL15259188 0.76 CHRM2 (0.41) EGFRINSRMEN1USP2ALDH1A1
SCHEMBL20320719 0.75 CHRM2 (0.42) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL19903918 0.74 KDM4A (0.53) INSRHDAC6HDAC3HDAC1HDAC2
SCHEMBL23787807 0.74 KDM4A (0.33) INSRMEN1USP2ALDH1A1POLB

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-3558462-B1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT OREAL (FR) 2021-01-20 EP disclosed
WO-2018115393-A1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT L'OREAL (FR) 2018-06-28 WO disclosed