SCHEMBL8969585

SCHEMBL8969585

CC(C)COC1CCSC1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
CPA1 P15085 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
SCHEMBL8969471 0.78 MMP1 (0.34) CPA1
SCHEMBL8969089 0.77
SCHEMBL8969548 0.74
SCHEMBL8970898 0.71 CHRM2 (0.42)
SCHEMBL8969180 0.69 RAB9A (0.40) RAB9ACTSVCTSLCTSBCTSS
SCHEMBL8970403 0.69 RAB9A (0.40) RAB9ACTSVCTSLCTSBCTSS
SCHEMBL8969288 0.68 RAB9A (0.39) RAB9ACTSVCTSLCTSBCTSS
SCHEMBL8970218 0.68 GRM2 (0.35) RAB9ACTSVCTSLCTSBCTSS
SCHEMBL8969116 0.68 RAB9A (0.39) RAB9ACTSVCTSLCTSBCTSS
SCHEMBL8969325 0.67 RAB9A (0.35) RAB9A

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