SCHEMBL9570453

SCHEMBL9570453

CCNc1ccc(OCC(C)C)c(OCC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL29463708 0.82 F2 (0.47) ALDH1A1GAAMAPTHSD17B10KDM4E
SCHEMBL28150355 0.82 F2 (0.47) ALDH1A1GAAMAPTHSD17B10KDM4E
SCHEMBL20969623 0.77 HRH3 (0.48) ALDH1A1GAASMN1; SMN2MAPTHSD17B10
SCHEMBL1223575 0.74 KDM4E (0.53) ALDH1A1GAAMAPTHSD17B10KDM4E
SCHEMBL5506635 0.74 MAPT (0.54) ALDH1A1GAASMN1; SMN2MAPTHSD17B10
SCHEMBL10710278 0.73 C5AR1 (0.58) GAASMN1; SMN2MAPTKDM4ETHRB
SCHEMBL13607201 0.72 ALDH1A1 (0.61) ALDH1A1GAAMAPTIGF1RKDM4E
SCHEMBL30480119 0.72 MAPT (0.56) ALDH1A1GAASMN1; SMN2MAPTHSD17B10
SCHEMBL423387 0.72 MAPT (0.56) ALDH1A1GAASMN1; SMN2MAPTHSD17B10
SCHEMBL6376383 0.71 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2MAPTHSD17B10

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-0549263-A2 A process for the preparation of N-alkyl-3,4-dialkyloxyanilines and derivatives thereof CHEMAGIS LTD. (IL) 1993-06-30 — — EP claimed
EP-0549263-A2 A process for the preparation of N-alkyl-3,4-dialkyloxyanilines and derivatives thereof CHEMAGIS LTD. (IL) 1993-06-30 — — EP disclosed
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