SCHEMBL26977641

SCHEMBL26977641

O=C(O)CCCCCCc1cccc2c1oc1c(CCCCCCC(=O)O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
LTB4R Q15722 5/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
TBXAS1 P24557 3/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL26977479 0.98 F13A1 (0.47) F13A1MAPTRXFP1MEN1KMT2A
SCHEMBL13990693 0.86 PARP1 (0.51) MAPTMEN1KMT2AGLASTING1
SCHEMBL20402334 0.83 ALOX5 (0.55) MEN1KMT2AFABP4FABP5HDAC3
SCHEMBL198085 0.79 PARP1 (0.46) MAPTGLASTING1
SCHEMBL30320123 0.79 PARP1 (0.46) MAPTGLASTING1
SCHEMBL3732554 0.79 TDP1 (0.59) F13A1MAPTRXFP1MEN1KMT2A
SCHEMBL1616841 0.79 TDP1 (0.59) F13A1MAPTRXFP1MEN1KMT2A
SCHEMBL710750 0.79 TDP1 (0.59) F13A1MAPTRXFP1MEN1KMT2A
SCHEMBL29865603 0.79 TDP1 (0.59) F13A1MAPTRXFP1MEN1KMT2A
SCHEMBL6842066 0.79 TDP1 (0.59) F13A1MAPTRXFP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464391-B1 NON-PHTHALATE DONOR FOR POLYOLEFIN CATALYSTS BRASKEM AMERICA INC (US) 2024-01-03 EP claimed