SCHEMBL8969972

SCHEMBL8969972

COC(=O)[C@@H]1CSC[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL4263557 1.00 CHRM2 (0.34) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL68475 0.86 CHRM2 (0.38) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL14593867 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL2642097 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL14593887 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL8972064 0.78 PPM1B (0.37) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL16079938 0.78 CHRM2 (0.34) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL3918398 0.78 CHRM2 (0.34) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL8969151 0.78 TSHR (0.33) TSHR
SCHEMBL8970421 0.78 CYP1A2 (0.36) KMT2ACYP1A2TSHRHSD17B10CYP2C19

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