SCHEMBL31003876

SCHEMBL31003876

Cc1cc(C(=O)O)ccc1Nc1cc(C2CCCCC2)cc(C2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
S1PR1 P21453 1/20 0.50
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 2/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RCE1 Q9Y256 1/20 0.46
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
SERPINE1 P05121 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL28592246 0.93 KDM4E (0.49) KMOS1PR1KDM4EALDH1A1GAA
SCHEMBL22453743 0.91 S1PR1 (0.55) KMOS1PR1KDM4EALDH1A1GAA
SCHEMBL31003873 0.85 KMO (0.48) KMOKDM4EALDH1A1GAAMAPT
SCHEMBL22452774 0.80 MEN1 (0.52) KMOS1PR1ALDH1A1L3MBTL1KMT2A
SCHEMBL31003814 0.80 KMO (0.54) KMOKDM4EALDH1A1GLAL3MBTL1
SCHEMBL22453482 0.79 SMN1; SMN2 (0.53) S1PR1KDM4EALDH1A1GAAMAPT
SCHEMBL20400984 0.78 S1PR1 (0.49) KMOS1PR1KDM4EALDH1A1KMT2A
SCHEMBL28600732 0.77 CA12 (0.50) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL28917415 0.77 KDM4E (0.47) KMOKDM4EALDH1A1GAAMAPT
SCHEMBL6556860 0.75 HCAR3 (0.63) KDM4EALDH1A1MAPTHPGDKMT2A

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
CN-113121393-B Aromatic amide compound and application thereof in medicines 广东东阳光药业股份有限公司 2024-08-09 CN disclosed