SCHEMBL8970252

SCHEMBL8970252

CC(C)OC1CCCCCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 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
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL8970245 1.00 ACE (0.37) ACETAAR1MEN1BLMKMT2A
SCHEMBL8969160 0.98 ACE (0.38) ACETAAR1MEN1BLMKMT2A
SCHEMBL8969133 0.94 ACE (0.41) ACETAAR1MEN1BLMKMT2A
SCHEMBL8970358 0.78 CYP2C19 (0.38) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL8969963 0.78 CYP2C19 (0.38) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL8969116 0.77 RAB9A (0.39) ACETAAR1MEN1KMT2AALDH1A1
SCHEMBL8969288 0.77 RAB9A (0.39) ACETAAR1MEN1KMT2AALDH1A1
SCHEMBL8970243 0.75 CYP2C19 (0.39) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL8072246 0.75 CYP2C19 (0.39) MEN1BLMKMT2ACYP2C19KDM4E
SCHEMBL22323896 0.74 SLC18A3 (0.41) MEN1BLMKMT2AKDM4EHTT

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