SCHEMBL9849388

SCHEMBL9849388

CCCCc1ccc2c(c1C(=O)OCc1ccc(COC(=O)c3c(CCCC)ccc4c3Cc3ccccc3O4)cc1)Cc1ccccc1O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX4 Q99571 4/20 0.36
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
PRKCZ Q05513 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NAAA Q02083 1/20 0.33
ASAH1 Q13510 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL9849817 0.94 P2RX4 (0.37) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7189428 0.90 MAOA (0.36) TDP1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL9849719 0.90 P2RX4 (0.39) TDP1ALDH1A1CYP3A4TSHRP2RX4
SCHEMBL1384891 0.89 KDM4E (0.40) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL135629 0.84 BID (0.43) MAOAMAOB
SCHEMBL9849845 0.82 P2RX4 (0.43) TDP1ALDH1A1TSHRMAPK1P2RX4
SCHEMBL9869895 0.81 TRPA1 (0.40) TDP1ALDH1A1CYP3A4TSHRMAPK1
Zinc Ion SCHEMBL180553 0.81 MAOA (0.37) MAOAMAOBKMT2ACYSLTR2CYSLTR1
SCHEMBL11418926 0.81 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1
SCHEMBL153269 0.81 MAOA (0.37) MAOAMAOBKMT2ACYSLTR2CYSLTR1

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-0450492-A1 Alkylxanthate, production thereof, photopolymerization initiator, and polymerization employing the same Tosoh Corporation (JP) 1991-10-09 EP disclosed