SCHEMBL7573073

SCHEMBL7573073

CCCCOc1cc(-c2ccccc2)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
SQOR Q9Y6N5 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOAT1 P35610 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 2/20 0.37

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
Dimethylamine SCHEMBL7572333 0.96 KDM4E (0.39) KDM4ESQORCYP1A2CYP2C9CYP2C19
SCHEMBL7715410 0.93 L3MBTL1 (0.39) KDM4ESQORSOAT1ALDH1A1MAPT
SCHEMBL7572253 0.87 CYP3A4 (0.46) KDM4ESQORALDH1A1MAPTHPGD
SCHEMBL7573743 0.87 MAPT (0.41) KDM4ESQORCYP1A2CYP2C9CYP2C19
SCHEMBL7580611 0.87 MAPT (0.44) KDM4ESQORCYP1A2ALDH1A1MAPT
SCHEMBL7575694 0.86 CNR2 (0.39) ALDH1A1MAPTHPGD
SCHEMBL7575492 0.85 RARB (0.55) ALDH1A1HPGDTP53
SCHEMBL7573733 0.85 GRM2 (0.41) KDM4ESQORCYP1A2CYP2C9CYP2C19
SCHEMBL7572329 0.85 PIM1 (0.41) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7572249 0.82 CYP1A2 (0.46) KDM4ESQORCYP1A2CYP2C9CYP2C19

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