SCHEMBL8969365

SCHEMBL8969365

CC(C)CC(=O)OC1CSCC1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CPA1 P15085 1/20 0.31

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
SCHEMBL8970236 0.86 ELANE (0.31)
SCHEMBL8969961 0.81 CHRM2 (0.37) GRM2GRM3
SCHEMBL8970719 0.80 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8969513 0.78 KMT2A (0.31)
SCHEMBL8970218 0.77 GRM2 (0.35) GRM2GRM3CPA1
SCHEMBL8969243 0.76 NAAA (0.41)
SCHEMBL8970231 0.75 KMT2A (0.47)
SCHEMBL8970016 0.74 ACE (0.32) GRM2GRM3
SCHEMBL8970265 0.74
SCHEMBL8969230 0.74 NAAA (0.49)

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