SCHEMBL6941725

SCHEMBL6941725

CC(=O)Nc1ccc(NC(=O)CCl)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MB P02144 1/20 0.44
CYP1A1 P04798 1/20 0.44
CA3 P07451 1/20 0.44

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
SCHEMBL4958020 0.85 MAPT (0.69) RAB9APOLBNPC1MAPTALDH1A1
SCHEMBL6343152 0.81 KMT2A (0.55) POLBMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL5903996 0.79 ALDH1A1 (0.67) RAB9APOLBNPC1MAPTALDH1A1
SCHEMBL6571944 0.79 GSTO1 (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6572962 0.79 ALDH1A1 (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL9524929 0.78 HTT (0.59) RAB9APOLBNPC1MAPTALDH1A1
SCHEMBL2748272 0.78 ALDH1A1 (0.53) RAB9APOLBNPC1MAPTALDH1A1
SCHEMBL9523963 0.78 POLB (0.51) RAB9APOLBNPC1MAPTALDH1A1
SCHEMBL22897744 0.78 SMN1; SMN2 (0.50) RAB9APOLBNPC1MAPTALDH1A1
SCHEMBL9582473 0.78 POLB (0.48) RAB9APOLBMAPTALDH1A1SMN1; SMN2

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 4 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 disclosed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US 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