SCHEMBL13066969

SCHEMBL13066969

CCCC1CCC(C(=O)Oc2ccc(-c3ccc(C4CO4)c(F)c3C(F)F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
FASN P49327 1/20 0.30

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
SCHEMBL15343568 0.85 FASN (0.35) FASN
SCHEMBL13067332 0.85 MEN1 (0.32) KMT2AHPGD
SCHEMBL13025730 0.83 SMN1; SMN2 (0.34) F2HTTKMT2ASMN1; SMN2TDP1
SCHEMBL13067297 0.83 CHRM2 (0.34)
SCHEMBL13066971 0.83 SCN1A (0.33) HTTSMN1; SMN2FASN
SCHEMBL13066710 0.82 MEN1 (0.31) KMT2AHPGD
SCHEMBL13066729 0.81 CYP2C9 (0.39) KMT2AFASN
SCHEMBL13066970 0.81 MAOA (0.31)
SCHEMBL13066803 0.80 MAOA (0.30)
SCHEMBL13066739 0.79

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-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed