SCHEMBL9848839

SCHEMBL9848839

COc1ccc(C(=O)Nc2cccc(C(=O)Oc3ccccc3)c2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
KDM4E B2RXH2 2/20 0.62
POLB P06746 3/20 0.61
RAB9A P51151 6/20 0.60
NLRP3 Q96P20 1/20 0.60
TP53 P04637 2/20 0.59
KCNK9 Q9NPC2 2/20 0.58
KCNK3 O14649 1/20 0.57
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TRPV1 Q8NER1 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL22887206 0.89 SMN1; SMN2 (0.70) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL26975749 0.87 NR1H4 (0.67) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL11648261 0.84 NPC1 (0.68) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL9848853 0.79 MAOB (0.61) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL28343739 0.79 KMT2A (0.56) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4436642 0.78 KCNK3 (0.77) NPC1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL28519972 0.77 ESR1 (0.73) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL27744379 0.77 ESR1 (0.73) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL3592038 0.76 RAB9A (0.78) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL29800540 0.76 NPC1 (1.00) NPC1SMN1; SMN2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP disclosed