SCHEMBL8533393

SCHEMBL8533393

CN(C)c1ccc(C(=O)O)c(-c2ccc(N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
SLC16A3 O15427 1/20 0.41
KMT2A Q03164 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
GFER P55789 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39

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
SCHEMBL6804716 0.86 MCL1 (0.46) ALDH1A1MAPTKDM4EGAASLC16A3
SCHEMBL9762624 0.85 MEN1 (0.46) ALDH1A1CYP3A4TDP1MAPTPTPN1
SCHEMBL6802096 0.84 NPC1 (0.44) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL10606874 0.83 SLC16A3 (0.50) ALDH1A1CYP3A4ALOX15TP53MAPT
SCHEMBL6443680 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL6809087 0.81 CYP2C8 (0.49) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL1683894 0.79 KDM4E (0.59) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL29626098 0.79 KDM4E (0.59) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL6799120 0.79 HDAC7 (0.49) ALDH1A1MAPTGAASLC16A3KMT2A
SCHEMBL6805850 0.78 TP53 (0.47) ALDH1A1TDP1TP53MAPK1MAPT

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-0708796-B1 PROCESS FOR PREPARING COMPOSITES BASED ON ORIENTED MESOGENIC THERMOSET RESINS DOW CHEMICAL CO (US) 1998-05-27 EP disclosed
EP-0708796-A1 PROCESS FOR PREPARING COMPOSITES BASED ON ORIENTED MESOGENIC THERMOSET RESINS THE DOW CHEMICAL COMPANY (US) 1996-05-01 EP disclosed
WO-1995002631-A1 PROCESS FOR PREPARING COMPOSITES BASED ON ORIENTED MESOGENIC THERMOSET RESINS THE DOW CHEMICAL COMPANY (US) 1995-01-26 WO disclosed
US-5248360-A Saturating fiber substrates with curable thermosetting resin, arranging substrates into desired configuration, curing with application of heat and pressure THE DOW CHEMICAL COMPANY (US) 1993-09-28 US disclosed