SCHEMBL7573752

SCHEMBL7573752

CCCCOc1cc(CCCCCl)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
THRB P10828 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
ATM Q13315 1/20 0.31
ALOX5 P09917 2/20 0.31
CYP1A2 P05177 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRA P10827 1/20 0.31
APAF1 O14727 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7603084 0.93 HPGD (0.37) ALDH1A1HPGDTHRBMAPTGAA
SCHEMBL7709366 0.81 ALDH1A1 (0.37) ALDH1A1HPGDMAPK8MAPK9TSHR
SCHEMBL7574892 0.79 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7572306 0.76 THRA (0.43) ALDH1A1HPGDTHRBMAPTGAA
SCHEMBL7050071 0.70 HPGD (0.46) ALDH1A1HPGDMAPTGAANPSR1
SCHEMBL29837403 0.70 HPGD (0.46) ALDH1A1HPGDMAPTGAANPSR1
SCHEMBL7573073 0.70 KDM4E (0.39) ALDH1A1HPGDTHRBMAPTKDM4E
SCHEMBL7573743 0.68 MAPT (0.41) ALDH1A1HPGDMAPTGAANPSR1
SCHEMBL7572253 0.68 CYP3A4 (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7580611 0.68 MAPT (0.44) ALDH1A1HPGDMAPTGAANPSR1

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
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed
WO-1997047599-A1 SUCCINAMIDE DERIVATIVES USEFUL AS TNF- AND/OR MMP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-18 WO disclosed