SCHEMBL4642804

SCHEMBL4642804

CCC[C@H]1CC[C@H](C2CCC(C(C)OC(C)=O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL4648198 0.95 TSHR (0.40) TLR4TSHRMAPTCYP2C9LMNA
SCHEMBL6050318 0.78
SCHEMBL9442481 0.75 TLR4 (0.37) TLR4MAPTCYP2C9LMNAALDH1A1
SCHEMBL27773749 0.75 SAT1 (0.41) TSHRMAPTKMT2ACHRM2CHRM4
SCHEMBL10706434 0.75 TLR4 (0.43) TLR4MAPTCYP2C9LMNAALDH1A1
SCHEMBL4642806 0.75 ALDH1A1 (0.44) TLR4TSHRMAPTCYP2C9LMNA
SCHEMBL8732696 0.75 TLR4 (0.43) TLR4MAPTCYP2C9LMNAALDH1A1
SCHEMBL11042732 0.75 TLR4 (0.43) TLR4MAPTCYP2C9LMNAALDH1A1
SCHEMBL4642815 0.75 ALDH1A1 (0.44) TLR4TSHRMAPTCYP2C9LMNA
SCHEMBL4642812 0.75 ALDH1A1 (0.44) TLR4TSHRMAPTCYP2C9LMNA

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