SCHEMBL6941973

SCHEMBL6941973

COC(=O)Nc1cc(Cl)c(NC(=O)C[N+]2(C)CCN(C)CC2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM3 P20309 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL6939445 1.00 POLB (0.38) POLBALDH1A1KDM4EHPGDTSHR
Hydrochloric Acid SCHEMBL6938896 0.99 POLB (0.38) POLBALDH1A1KDM4EHPGDTSHR
Hydrochloric Acid SCHEMBL6937225 0.99 POLB (0.38) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL7805177 0.89 ALDH1A1 (0.44) POLBALDH1A1HPGDTSHRKMT2A
SCHEMBL6941689 0.89 POLB (0.40) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL6942033 0.89 POLB (0.40) POLBALDH1A1KDM4EHPGDTSHR
Hydrochloric Acid SCHEMBL7628982 0.89 ALDH1A1 (0.43) POLBALDH1A1HPGDTSHRKMT2A
Hydrochloric Acid SCHEMBL7636526 0.89 ALDH1A1 (0.43) POLBALDH1A1HPGDTSHRKMT2A
Hydrochloric Acid SCHEMBL6941558 0.88 POLB (0.39) POLBALDH1A1KDM4EHPGDTSHR
Hydrochloric Acid SCHEMBL6942701 0.88 POLB (0.39) POLBALDH1A1KDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed