SCHEMBL8969133

SCHEMBL8969133

CC(C)OC1CCCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
PEPD P12955 1/20 0.37
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
BTK Q06187 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL8969160 0.96 ACE (0.38) ACEPEPDMEN1BLMKMT2A
SCHEMBL8970245 0.94 ACE (0.37) ACEMEN1BLMKMT2ATAAR1
SCHEMBL8970252 0.94 ACE (0.37) ACEMEN1BLMKMT2ATAAR1
SCHEMBL8969916 0.77 PEPD (0.41) ACEPEPDMEN1BLMKMT2A
SCHEMBL8086372 0.77 PEPD (0.41) ACEPEPDMEN1BLMKMT2A
SCHEMBL8969423 0.77 PEPD (0.41) ACEPEPDMEN1BLMKMT2A
SCHEMBL8970403 0.76 RAB9A (0.40) ACEPEPDTAAR1
Hydrochloric Acid SCHEMBL8970089 0.75 PEPD (0.44) ACEPEPDMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL8970160 0.75 PEPD (0.44) ACEPEPDMEN1BLMKMT2A
SCHEMBL788565 0.75

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