SCHEMBL7603084

SCHEMBL7603084

CCCCCc1cc(OCCCC)c(C#N)c(C#N)c1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 6/20 0.35
HTR2A P28223 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
APAF1 O14727 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS2 P35354 3/20 0.33

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
SCHEMBL7573752 0.93 ALDH1A1 (0.33) HPGDALDH1A1ALOX5HTR2ATSHR
SCHEMBL7709366 0.85 ALDH1A1 (0.37) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL7574892 0.83 ALDH1A1 (0.43) HPGDALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7572306 0.79 THRA (0.43) HPGDALDH1A1HTTMAPTTHRB
SCHEMBL7050071 0.73 HPGD (0.46) HPGDALDH1A1HTTMAPTL3MBTL1
SCHEMBL29837403 0.73 HPGD (0.46) HPGDALDH1A1HTTMAPTL3MBTL1
SCHEMBL7573073 0.73 KDM4E (0.39) HPGDALDH1A1HTTMAPTMAPK1
SCHEMBL7572253 0.71 CYP3A4 (0.46) HPGDALDH1A1TSHRMAPTNPC1
SCHEMBL7573743 0.71 MAPT (0.41) HPGDALDH1A1TSHRHTTMAPT
SCHEMBL7580611 0.71 MAPT (0.44) HPGDALDH1A1HTTMAPTMEN1

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 3 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