SCHEMBL17733685

SCHEMBL17733685

COCCCOCc1cccc(COCCCOC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAAA Q02083 1/20 0.42
IDO1 P14902 4/20 0.39
AGXT P21549 2/20 0.39
TSHR P16473 1/20 0.38
ENPP2 Q13822 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3192237 0.91 MRGPRX4 (0.41) TDP1L3MBTL1NAAAIDO1AGXT
SCHEMBL21968364 0.89 IDO1 (0.53) TDP1L3MBTL1IDO1CYP2D6ALDH1A1
SCHEMBL23640522 0.88 IDO1 (0.57) TDP1L3MBTL1IDO1AGXTMAOB
SCHEMBL16845882 0.86 TSHR (0.56) TDP1L3MBTL1NAAAIDO1TSHR
SCHEMBL20180991 0.84 IDO1 (0.51) TDP1L3MBTL1IDO1CYP2D6ALDH1A1
SCHEMBL10071521 0.84 TDP1 (0.40) TDP1L3MBTL1NAAAIDO1AGXT
SCHEMBL21215156 0.82 L3MBTL1 (0.57) TDP1L3MBTL1NAAATSHRKDM4E
SCHEMBL27450239 0.82 MRGPRX4 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL649009 0.82 PLA2G4B (0.45) TDP1L3MBTL1NAAATSHRMAPK1
SCHEMBL12561325 0.82 L3MBTL1 (0.60) TDP1L3MBTL1NAAAIDO1TSHR

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-1999177-B1 RADIATION-OR THERMALLY-CURABLE BARRIER SEALANTS HENKEL AG & CO KGAA (DE) 2016-05-11 EP disclosed