SCHEMBL3049598

SCHEMBL3049598

C=CC(=O)CCc1cc(N(C)C)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 6/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ BACE1 P56817 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ APP P05067 1/20 0.32
▸ HSD17B3 P37058 1/20 0.32

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
SCHEMBL21894227 0.81 TAAR1 (0.49) NPSR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL11298255 0.75 ALDH1A1 (0.53) ALDH1A1MAPTALOX15HPGDKDM4E
SCHEMBL2441467 0.74 NOTUM (0.48) ALDH1A1MAPTHPGDGAANPC1
SCHEMBL12956480 0.72 NPC1 (0.42) NPSR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL13366127 0.71 PSMB5 (0.47) ALDH1A1MAPTALOX15HPGDKDM4E
SCHEMBL6123755 0.70 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HPGDKDM4E
SCHEMBL14255243 0.69 MEN1 (0.47) ALDH1A1HPGD
SCHEMBL26516646 0.69 THRB (0.35) MAPTLMNA
SCHEMBL5017049 0.67 ALDH1A1 (0.40) ALDH1A1MAPTALOX15KDM4EHSD17B10
SCHEMBL2441288 0.66 TNKS2 (0.41) ALDH1A1MAPTALOX15HPGDKDM4E

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
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 — — WO disclosed
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