SCHEMBL11529935

SCHEMBL11529935

CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.46
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DNM1 Q05193 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
NR5A1 Q13285 1/20 0.40
APAF1 O14727 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9861937 1.00 CETP (0.46) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL11431937 1.00 CETP (0.46) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL11305016 1.00 CETP (0.46) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL18544242 0.93 TSHR (0.47) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL6561393 0.89 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1L3MBTL1
Phenol SCHEMBL11598335 0.84 NR5A1 (0.53) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL27897338 0.83 CETP (0.48) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL11364537 0.83 CETP (0.48) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL28538580 0.83 CETP (0.48) CETPLTA4HALDH1A1TSHRMAPK1
SCHEMBL1856299 0.82 LTA4H (0.45) CETPLTA4HALDH1A1TSHRMAPK1

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
US-4159261-A DISCOLORATION INHIBITION DART INDUSTRIES INC. (US) 1979-06-26 US disclosed