SCHEMBL2468699

SCHEMBL2468699

CCN(CCO)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TAAR1 Q96RJ0 2/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
HTT P42858 4/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
S1PR1 P21453 5/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2767092 0.89 MAPT (0.69) MAPTTAAR1ALDH1A1STK4STK3
SCHEMBL30197830 0.89 MAPT (0.69) MAPTTAAR1ALDH1A1STK4STK3
SCHEMBL11694232 0.86 MAPT (0.59) MAPTTAAR1ALDH1A1CYP3A4HTT
SCHEMBL7113669 0.85 MAPT (0.62) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL11689257 0.84 MAPT (0.58) MAPTTAAR1ALDH1A1CYP3A4HTT
SCHEMBL11067328 0.82 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4HTTS1PR1
SCHEMBL11793328 0.81 MAPT (0.50) MAPTTAAR1ALDH1A1CYP3A4HTT
SCHEMBL10797168 0.81 MAPT (0.50) MAPTTAAR1ALDH1A1CYP3A4HTT
SCHEMBL29872680 0.81 ALDH1A1 (0.50) MAPTALDH1A1CYP3A4HTTKMT2A
SCHEMBL61069 0.81 ALDH1A1 (0.76) MAPTALDH1A1CYP3A4S1PR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362082-B1 COLOURED, WATER-DISSIPATABLE POLYURETHANES FUJIFILM IMAGING COLORANTS LTD (GB) 2011-10-05 EP disclosed
US-20040102542-A1 Coloured, water-dissipatable polyurethanes AVECIA LIMITED (GB) 2004-05-27 US disclosed
EP-1362082-A1 COLOURED, WATER-DISSIPATABLE POLYURETHANES Avecia Limited (GB) 2003-11-19 EP disclosed
WO-2002050197-A1 COLOURED, WATER-DISSIPATABLE POLYURETHANES AVECIA LIMITED (GB) 2002-06-27 WO disclosed
US-4041025-A FOR HYDROPHOBIC FIBERS SUCH AS POLYESTERS, YELLOW TO BLUE-GREEN SHADES BASF AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed