SCHEMBL8970462

SCHEMBL8970462

CC(C)(C)OC1CCCCCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33

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
SCHEMBL8969280 1.00 BTK (0.36) BTKEPHX1MEN1BLMKMT2A
SCHEMBL8969074 0.98 BTK (0.37) BTKEPHX1MEN1BLMKMT2A
SCHEMBL8970591 0.94 BTK (0.40) BTKEPHX1MEN1BLMKMT2A
SCHEMBL8969963 0.78 CYP2C19 (0.38) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL8970358 0.78 CYP2C19 (0.38) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL31332688 0.75 GRM2 (0.41) BTKMEN1KMT2ACYP2C19KDM4E
SCHEMBL8072246 0.75 CYP2C19 (0.39) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL8970243 0.75 CYP2C19 (0.39) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL22323896 0.74 SLC18A3 (0.41) MEN1BLMKMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL8970750 0.74 PEPD (0.39) MEN1BLMKMT2ACYP2C19KDM4E

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