SCHEMBL8216896

SCHEMBL8216896

CCCC1CCC(C2CCC(CCC(C)=O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.50
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.33
HSD11B1 P28845 1/20 0.33
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 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
SCHEMBL10616701 0.85
SCHEMBL6523852 0.84 MAPT (0.47) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL6523843 0.84 MAPT (0.47) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL6523850 0.84 MAPT (0.47) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL9055762 0.82 TLR4 (0.42) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL9055763 0.82 TLR4 (0.42) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL9055758 0.82 TLR4 (0.42) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL8215928 0.80 TLR4 (0.40) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL9571984 0.80 MAPT (0.44) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL10450963 0.80 TLR4 (0.47) TLR4CYP2C9ALDH1A1MAPTLMNA

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
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0828700-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1998-03-18 EP disclosed
WO-1996037451-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1996-11-28 WO disclosed