SCHEMBL2880971

SCHEMBL2880971

CCCCC(Cl)(Cl)c1ccccc1C(Cl)(Cl)CCCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
LTA4H P09960 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KIF11 P52732 1/20 0.32
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2869408 0.93 GAA (0.37) ALDH1A1LTA4HHSP90AA1HSP90AB1CYP1A2
SCHEMBL2875647 0.91 LIPG (0.36) ALDH1A1CYP1A2CYP2C19GAASMN1; SMN2
SCHEMBL2878742 0.91 LIPG (0.36) ALDH1A1CYP1A2CYP2C19GAASMN1; SMN2
SCHEMBL2875214 0.86 ESR1 (0.32) ESR1ESR2ALDH1A1CYP2C19GAA
SCHEMBL6680295 0.83 HTR1B (0.38) ALDH1A1CYP1A2CYP2C19GAALMNA
SCHEMBL6681947 0.80 TSHR (0.42) ESR1ESR2PCSK9LTA4HKIF11
SCHEMBL5588975 0.79 IAPP (0.40) ESR1ESR2ALDH1A1MAPTLMNA
SCHEMBL6681462 0.78 KDM4E (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL6682626 0.77 KDM4E (0.38) ALDH1A1MAPTCYP1A2CYP2C19GAA
SCHEMBL6686907 0.77 KDM4E (0.38) ALDH1A1MAPTCYP1A2CYP2C19GAA

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-20100151392-A1 ANTIREFLECTIVE COATING COMPOSITIONS RAHMAN M DALIL 2010-06-17 US disclosed