SCHEMBL4642812

SCHEMBL4642812

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TLR4 O00206 2/20 0.43
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 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
SCHEMBL4642806 1.00 ALDH1A1 (0.44) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL4642815 1.00 ALDH1A1 (0.44) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL4648200 0.94 ALDH1A1 (0.48) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL4648204 0.94 ALDH1A1 (0.48) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL12506840 0.87
SCHEMBL6751283 0.81 TLR4 (0.38) ALDH1A1TLR4CYP2C9LMNAMAPT
SCHEMBL15480715 0.80 TSHR (0.50) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL27932441 0.79 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27737577 0.79 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27763029 0.79 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568754-B1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK & CHEMICALS (JP) 2008-08-13 EP disclosed
US-7232592-B2 Compounds having a 4,6-difluoroindan-2,5-diyl group; composition of up to 6 compounds gives good response speed, good electrooptical liquid crystal display, matrix liquid crystal display elements DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-19 US disclosed
US-20060102878-A1 Nematic liquid crystal composition containing indan compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-05-18 US disclosed
EP-1568754-A1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-31 EP disclosed