SCHEMBL9304142

SCHEMBL9304142

CCCCC(OP(OC(CCCC)(c1ccccc1)c1ccccc1)OC(CCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
LTA4H P09960 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KCNN4 O15554 1/20 0.34
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL11124047 0.95 LTA4H (0.36) KIF11LTA4HKCNN4SIGMAR1KMT2A
SCHEMBL7107589 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL11140065 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL128271 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL227541 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL746060 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL1406140 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL8925432 0.93 SIGMAR1 (0.37) LTA4HESR1MAPK1LMNASIGMAR1
SCHEMBL9863110 0.89 KCNN4 (0.36) KIF11ESR1ESR2KCNN4MAPK1
SCHEMBL9304148 0.86 KIF11 (0.38) KIF11LTA4HESR1ESR2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58011538-A None JP disclosed
US-5310889-A Stabilizers for polymers to give heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1994-05-10 US disclosed
JP-S5811538-A AGRICULTURAL POLYVINYL CHLORIDE FILM CHISSO CORP 1983-01-22 JP disclosed