SCHEMBL5655091

SCHEMBL5655091

CCCCCCCCCCCCC(=O)C(C)c1ccc(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
HTT P42858 2/20 0.54
HSD17B3 P37058 6/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NAAA Q02083 1/20 0.43

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
SCHEMBL5653132 1.00 KDM4E (0.55) KDM4EHTTHSD17B3MEN1TP53
SCHEMBL3249800 0.87 KDM4E (0.47) KDM4EHTTHSD17B3MAPTLMNA
SCHEMBL27980958 0.80 ALDH1A1 (0.49) KDM4EHTTMEN1MAPTTSHR
SCHEMBL70058 0.75 TYR (0.51) KDM4EHTTMEN1TP53CYP3A4
SCHEMBL7855809 0.74 HTT (0.50) KDM4EHTTHSD17B3MEN1TP53
SCHEMBL31544881 0.73 TYR (0.53) KDM4EHTTMEN1TP53CYP3A4
SCHEMBL7599990 0.73 P2RX7 (0.48) ALDH1A1
SCHEMBL29429345 0.72 TYR (0.55) MEN1CYP3A4ALOX5MAPTTYR
SCHEMBL490490 0.72 TYR (0.55) MEN1CYP3A4ALOX5MAPTTYR
SCHEMBL3654494 0.72 HTT (0.97) KDM4EHTTHSD17B3MEN1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US disclosed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US disclosed