SCHEMBL9768520

SCHEMBL9768520

CCCCCCCCCc1cc(C)cc(C(=O)c2cc(C)cc(CCCCCCCCC)c2O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.45
PTGS2 P35354 5/20 0.45
TYR P14679 2/20 0.45
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KAT8 Q9H7Z6 4/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL334415 0.89 KAT8 (0.50) ALOX5PTGS2TYRKAT8BID
SCHEMBL7781047 0.89 KAT8 (0.50) ALOX5PTGS2TYRKAT8BID
SCHEMBL9500875 0.89 KAT8 (0.50) ALOX5PTGS2TYRKAT8BID
SCHEMBL9324615 0.89 KAT8 (0.50) ALOX5PTGS2TYRKAT8BID
SCHEMBL11771790 0.88 KAT8 (0.49) ALOX5PTGS2MAPTALOX15KAT8
Zinc Ion SCHEMBL18582563 0.86 ALOX5 (0.42) ALOX5PTGS2TYRMEN1TP53
SCHEMBL38839 0.84 TYR (0.55) ALOX5PTGS2TYRMEN1TP53
SCHEMBL224251 0.84 TYR (0.55) ALOX5PTGS2TYRMEN1TP53
SCHEMBL224790 0.84 TYR (0.55) ALOX5PTGS2TYRMEN1TP53
SCHEMBL222792 0.84 TYR (0.55) ALOX5PTGS2TYRMEN1TP53

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-5032487-A Reducing agent, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1991-07-16 US disclosed