SCHEMBL8969259

SCHEMBL8969259

CC(C)COC1CCC(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
ACE P12821 1/20 0.33
POLB P06746 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.31
ANPEP P15144 2/20 0.31
BTK Q06187 1/20 0.31
ENPEP Q07075 1/20 0.31
S1PR5 Q9H228 1/20 0.31
GABRR1 P24046 1/20 0.30
ACACB O00763 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
SCHEMBL30755013 0.87 RAB9A (0.36) RAB9APOLBGRM2GRM3NPC1
SCHEMBL31381268 0.87 RAB9A (0.36) RAB9APOLBGRM2GRM3NPC1
SCHEMBL8969186 0.82 EPHX2 (0.34) ACE
SCHEMBL8969001 0.81 PLG (0.38) PLGPLATLMNAACEGRM2
SCHEMBL22184418 0.81 PLG (0.38) PLGPLATLMNAACEGRM2
SCHEMBL17079741 0.78 CYP1A2 (0.34) RAB9ALMNAPOLB
SCHEMBL26999350 0.77 PLG (0.38) PLGPLATLMNAACEAKR1C3
SCHEMBL8969589 0.76 PPM1B (0.36) PLGPLATLMNAACEAKR1C3
SCHEMBL8191503 0.76 PLG (0.34) PLGPLATLMNAACEAKR1C3
SCHEMBL8971195 0.76

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-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed