SCHEMBL7324438

SCHEMBL7324438

COC(=O)CCCCCCCCC(=O)c1c(C)cc(OC)c(OC)c1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PAK1 Q13153 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FASN P49327 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL7411522 1.00 MEN1 (0.42) MEN1KMT2APAK1KDM4EALDH1A1
SCHEMBL29756609 0.90 MEN1 (0.42) MEN1KMT2APAK1KDM4EALDH1A1
SCHEMBL7411935 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB
SCHEMBL28973812 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB
SCHEMBL29756463 0.88 MEN1 (0.55) MEN1KMT2APAK1ALDH1A1FASN
SCHEMBL7409659 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB
SCHEMBL10981871 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB
SCHEMBL7324242 0.88 POLB (0.49) MEN1KMT2APAK1ALDH1A1FASN
SCHEMBL7410602 0.88 POLB (0.49) MEN1KMT2APAK1ALDH1A1FASN
SCHEMBL28973789 0.87 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022467-A2 NOVEL BENZOQUINONE DERIVATIVES AND USE THEREOF AS MODULATORS OF MITOCHONDRIAL FUNCTION SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-02-23 WO disclosed
US-4842775-A SODIUM BOROHYDRIDE IN PRESENCE OF ALUMINUM CHLORIDE AND WATER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed