SCHEMBL9614962

SCHEMBL9614962

O=CCCCc1ccc(OOCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
BCHE P06276 4/20 0.44
MGLL Q99685 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HTR2A P28223 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL7300705 0.84 LTA4H (0.64) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL7867586 0.80 BCHE (0.62) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL66826 0.80 SIGMAR1 (0.54) TDP1HTR2A
SCHEMBL30765734 0.79 FFAR1 (0.54) LTA4HEPHX2FFAR1FFAR4
SCHEMBL11050654 0.78 SIGMAR1 (0.52) TDP1HTR2A
SCHEMBL11050330 0.78 SIGMAR1 (0.52) TDP1HTR2A
SCHEMBL11057347 0.78 SIGMAR1 (0.52) TDP1HTR2A
SCHEMBL6957202 0.76 MAOB (0.50) BCHE
Methyl Alcohol SCHEMBL27641695 0.75 HDAC3 (0.50) TDP1L3MBTL1ALOX5
SCHEMBL2772725 0.74 FFAR1 (0.61) LTA4HEPHX2BCHEL3MBTL1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512065-A4 APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER 1992-12-30 EP disclosed
EP-0512065-A1 APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER GENSIA PHARMACEUTICALS, INC. (US) 1992-11-11 EP disclosed
US-5088978-A APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER GENSIA PHARMACEUTICALS, INC. (US) 1992-02-18 US disclosed
WO-1991011215-A1 APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER GENSIA PHARMACEUTICALS, INC. (US) 1991-08-08 WO disclosed