SCHEMBL9168403

SCHEMBL9168403

CCCCCC(CCCC)(OC(CCCC)(CCCCC)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
KIF11 P52732 2/20 0.38
SIGMAR1 Q99720 3/20 0.38
GAA P10253 1/20 0.37
EBP Q15125 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KCNN4 O15554 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL30865104 0.96 SIGMAR1 (0.40) LTA4HSIGMAR1GAAEBPESR1
SCHEMBL28944305 0.93 SIGMAR1 (0.38) LTA4HSIGMAR1GAAEBPESR1
SCHEMBL706928 0.85 KIF11 (0.38) LTA4HKIF11SIGMAR1GAAEBP
SCHEMBL3807681 0.85 SIGMAR1 (0.40) LTA4HSIGMAR1GAAEBPESR1
SCHEMBL3481596 0.81 KIF11 (0.36) LTA4HKIF11SIGMAR1GAAEBP
SCHEMBL9242864 0.81 ALDH1A1 (0.42) SIGMAR1GAAEBPCNR1CNR2
SCHEMBL28813660 0.81 KIF11 (0.37) LTA4HKIF11SIGMAR1GAAEBP
SCHEMBL29785520 0.81 KIF11 (0.37) LTA4HKIF11SIGMAR1GAAEBP
SCHEMBL27983297 0.81 KIF11 (0.38) LTA4HKIF11SIGMAR1ESR1ESR2
SCHEMBL28944297 0.79 CNR2 (0.40) LTA4HKIF11SIGMAR1GAAEBP

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-5380772-A Modelling liquid for dental porcelain G-C TOSHI KOGYO CORPORATION (JP) 1995-01-10 US disclosed