SCHEMBL27517367

SCHEMBL27517367

O=C(/C=C/c1ccc(C(=O)OCCCCCCO)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
BCHE P06276 11/20 0.53
ACHE P22303 9/20 0.53
MAPT P10636 3/20 0.53
MAOB P27338 2/20 0.53
PLIN1 O60240 1/20 0.53
LMNA P02545 1/20 0.53
TNFRSF1A P19438 1/20 0.53
RECQL P46063 1/20 0.53
PLIN5 Q00G26 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
CYP3A4 P08684 3/20 0.51
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
KMT2A Q03164 2/20 0.51
RELA Q04206 2/20 0.51
HSPD1 P10809 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL25196319 0.96 BCHE (0.55) TDP1BCHEACHEMAPTMAOB
SCHEMBL9815319 0.85 TDP1 (0.53) TDP1MAPTLMNACYP3A4RAB9A
SCHEMBL14634331 0.84 NPC1 (0.67) BCHEACHEMAPTCYP3A4NFKB1
SCHEMBL14634329 0.84 NPC1 (0.67) BCHEACHEMAPTCYP3A4NFKB1
SCHEMBL2999821 0.84 NPC1 (0.67) BCHEACHEMAPTCYP3A4NFKB1
SCHEMBL27455443 0.84 NPC1 (0.67) BCHEACHEMAPTCYP3A4NFKB1
SCHEMBL2999819 0.84 NPC1 (0.67) BCHEACHEMAPTCYP3A4NFKB1
SCHEMBL27454780 0.84 BCHE (0.49) BCHEACHEMAPTMAOBPLIN1
SCHEMBL6821603 0.83 TDP1 (0.81) TDP1MAPTLMNARAB9AKMT2A
SCHEMBL14723101 0.83 TDP1 (0.81) TDP1MAPTLMNARAB9AKMT2A

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
CN-100383644-C Chemical adsorbate compound, organic film, liquid crystal alignment film, and liquid crystal display device utilizing the chemical adsorbate compound MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2008-04-23 CN disclosed
CN-100338517-C Chemisorption substance, and liquid crystal alignment film and liquid crystal display device using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-09-19 CN disclosed
CN-1627157-A Chemical adsorbate compound, organic film, liquid crystal alignment film, and liquid crystal display device utilizing the chemical adsorbate compound MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-06-15 CN disclosed
CN-1279411-A Chemisorption substance, and liquid crystal alignment film and liquid crystal display device using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2001-01-10 CN disclosed