SCHEMBL9150596

SCHEMBL9150596

CCOc1ccc(O)c(C(CC)(CC)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HSD17B10 Q99714 3/20 0.45
NQO1 P15559 1/20 0.45
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
RECQL P46063 2/20 0.43
LTA4H P09960 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALOX12 P18054 1/20 0.42
FADS1 O60427 1/20 0.41
KLKB1 P03952 1/20 0.39
NPC1 O15118 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL9151312 0.86 LTA4H (0.46) LTA4HMEN1KMT2AL3MBTL1
SCHEMBL9149917 0.86 ESR1 (0.43) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL9150131 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL5083160 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL5953654 0.82 MAPT (0.45) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL11799605 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL3720970 0.77 NQO1 (0.52) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL1051397 0.77 LTA4H (0.57) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL9519070 0.76 MAPT (0.44) ALDH1A1MAPTHSD17B10KDM4ELTA4H
SCHEMBL10919477 0.75 ALDH1A1 (0.59) ALDH1A1HSD17B10ALOX15GAA

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
US-5399623-A Semiconductors with sealing rubbers DAIKIN INDUSTRIES, LTD. (JP) 1995-03-21 US claimed
EP-0607457-A1 VULCANIZING FLUORORUBBER COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 1994-07-27 EP claimed
US-5399623-A Semiconductors with sealing rubbers DAIKIN INDUSTRIES, LTD. (JP) 1995-03-21 US disclosed
EP-0607457-A1 VULCANIZING FLUORORUBBER COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 1994-07-27 EP disclosed