SCHEMBL7459407

SCHEMBL7459407

Cc1cocc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
PDE10A Q9Y233 1/20 0.34
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 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
SCHEMBL7465777 0.85
SCHEMBL7456269 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7461279 0.82
SCHEMBL7457440 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7460384 0.80 MEN1 (0.30)
SCHEMBL6570701 0.80 PLA2G7 (0.43) ALDH1A1PDE10ATSHRCASP1
SCHEMBL7462605 0.79 ALDH1A1 (0.33) ALDH1A1PDE10A
SCHEMBL7460684 0.79 CYP2A6 (0.37) ALDH1A1PDE10AESR1ESR2TSHR
SCHEMBL6571925 0.77 CRHR1 (0.38) ALDH1A1PDE10ATSHRCASP1
SCHEMBL855950 0.77 PDE10A (0.44) ALDH1A1PDE10ATSHRCASP1

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-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed