SCHEMBL6574535

SCHEMBL6574535

COCCN(CCOC)c1ccc(N)cc1-c1cc(C=O)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 9/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 4/20 0.39
AOX1 Q06278 1/20 0.39
TRIM24 O15164 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ALDH3A1 P30838 3/20 0.38
ALDH1A3 P47895 2/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL6571940 0.88 ALDH1A1 (0.42) FDPSALDH1A1TSHRHPGDAOX1
SCHEMBL6572247 0.83 ALDH3A1 (0.38) FDPSALDH1A1HPGDTRIM24ALDH5A1
SCHEMBL6570817 0.83 HDAC4 (0.39) ALDH1A1MAPTCYP19A1
SCHEMBL6572154 0.82 MEN1 (0.47) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL6571582 0.82 GAA (0.40) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL6573046 0.80 HTR7 (0.44) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL6571906 0.80 ALDH3A1 (0.36) ALDH1A1TRIM24TDP1TRIM33ALDH3A1
SCHEMBL6571343 0.79 FDPS (0.43) FDPSALDH1A1TSHRHPGDAOX1
SCHEMBL6572453 0.78 HDAC4 (0.37) ALDH1A1TSHRHPGDMAPTSMN1; SMN2
SCHEMBL6574203 0.77 CRHR1 (0.34) ALDH1A1TSHRHPGDTDP1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed