SCHEMBL8043924

SCHEMBL8043924

Cc1cc(C)c(O)c(CCCCCCc2cc(C)cc(C)c2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 6/20 0.40
ALOX5 P09917 4/20 0.40
SHBG P04278 1/20 0.39
TYR P14679 1/20 0.39
AMY1A P0DUB6 1/20 0.38
HSPA5 P11021 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
PTGS1 P23219 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL673180 0.98 KDM4E (0.46) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL11636085 0.93 ALDH1A1 (0.46) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL11801543 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
SCHEMBL94454 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
SCHEMBL221458 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
SCHEMBL1021186 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
SCHEMBL5268694 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
SCHEMBL296170 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
SCHEMBL30564891 0.92 ALOX5 (0.50) MAPTPTGS2ALOX5TYR
Ethane SCHEMBL28065381 0.91 ALOX5 (0.49) MAPTPTGS2ALOX5TYR

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
WO-2000066671-A1 POWDER PAINT COMPOSITION DSM N.V. (NL) 2000-11-09 WO claimed