SCHEMBL8970719

SCHEMBL8970719

CC(C)CC(=O)OC1CSCC1O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
STING1 Q86WV6 1/20 0.32
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL8969260 0.85 ELANE (0.32) STING1
SCHEMBL8970162 0.80 CHRM2 (0.39) KMT2ANPSR1
SCHEMBL8969365 0.80 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8969828 0.77 ALDH1A1 (0.39) KMT2ANPSR1ALDH1A1
SCHEMBL8970369 0.75 NAAA (0.42)
SCHEMBL8970352 0.74 KMT2A (0.50) KMT2ANPSR1MEN1
SCHEMBL8970473 0.72 NAAA (0.51)
SCHEMBL4780402 0.72 ALDH1A1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8970040 0.71 CTSV (0.31)
SCHEMBL10434849 0.69 SMN1; SMN2 (0.33) MMP1MMP2MMP3MMP9MMP13

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 3 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