SCHEMBL8052103

SCHEMBL8052103

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
TLR4 O00206 2/20 0.40
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SLC1A2 P43004 1/20 0.31
HSD11B1 P28845 1/20 0.31
KMT2A Q03164 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL9627093 0.89 FFAR3 (0.50) FFAR3TLR4CYP2C9ALDH1A1MAPT
SCHEMBL8069418 0.89 TP53 (0.41) FFAR3CYP2C9MAPTLMNAKMT2A
SCHEMBL28697286 0.83 FFAR3 (0.62) FFAR3ALDH1A1LMNASLC1A2
SCHEMBL9758005 0.82 TLR4 (0.40) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL5069946 0.81 TLR4 (0.42) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL9758977 0.80 TLR4 (0.36) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL3188528 0.79 FFAR3 (0.44) FFAR3CYP2C9ALDH1A1MAPTLMNA
SCHEMBL14097861 0.79 TLR4 (0.37) TLR4CYP2C9ALDH1A1MAPTLMNA
SCHEMBL1080926 0.79 FFAR3 (0.46) FFAR3TLR4CYP2C9MAPTLMNA
SCHEMBL2148374 0.78 CYP1A2 (0.40) 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
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed