SCHEMBL8970591

SCHEMBL8970591

CC(C)(C)OC1CCCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
PEPD P12955 1/20 0.37
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
ACE P12821 1/20 0.34
GRM2 Q14416 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL8969074 0.96 BTK (0.37) BTKMEN1BLMKMT2AGRM2
SCHEMBL8969280 0.94 BTK (0.36) BTKMEN1BLMKMT2AGRM2
SCHEMBL8970462 0.94 BTK (0.36) BTKMEN1BLMKMT2AGRM2
SCHEMBL8086372 0.77 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL31332688 0.77 GRM2 (0.41) BTKMEN1KMT2AGRM2
SCHEMBL8969916 0.77 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL8969423 0.77 PEPD (0.41) PEPDMEN1BLMKMT2AACE
Hydrochloric Acid SCHEMBL8970089 0.75 PEPD (0.44) PEPDMEN1BLMKMT2AACE
Hydrochloric Acid SCHEMBL8970160 0.75 PEPD (0.44) PEPDMEN1BLMKMT2AACE
SCHEMBL20995896 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