SCHEMBL7807709

SCHEMBL7807709

CC(=O)c1ccoc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7808506 0.82 ALDH1A1 (0.31) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL7808563 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7453673 0.81 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL7809828 0.81
SCHEMBL7457440 0.79 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL7807482 0.79
SCHEMBL7800787 0.79
SCHEMBL7800903 0.78 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL7808714 0.78 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7467274 0.78 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2A

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed