SCHEMBL7573754

SCHEMBL7573754

CCCCOc1c(C#N)c(C#N)c(OCCCC)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PPARG P37231 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SQOR Q9Y6N5 1/20 0.40
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA4 P48058 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7572014 0.84 CYP2D6 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7573906 0.82 ADORA1 (0.44) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL30509797 0.81 LTA4H (0.42) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL1524981 0.81 LTA4H (0.42) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL7573073 0.80 KDM4E (0.39) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL8716356 0.78 LTA4H (0.42) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL4957939 0.77 LTA4H (0.39) MAPTLTA4HALDH1A1MEN1KMT2A
Dimethylamine SCHEMBL7572333 0.77 KDM4E (0.39) MAPTALDH1A1TDP1KDM4ESQOR
SCHEMBL16673312 0.76 GAA (0.43) MAPTLTA4HMEN1KMT2ATDP1
SCHEMBL16502323 0.75 FAAH (0.44) MAPTLTA4HALDH1A1MEN1KMT2A

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