SCHEMBL8969007

SCHEMBL8969007

CC(C)OC(=O)C1CSCC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 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
SCHEMBL8969151 0.81 TSHR (0.33) POLBTSHRNPSR1
SCHEMBL1297585 0.79 TSHR (0.39) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL28994233 0.79 TSHR (0.39) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL2863976 0.79 TSHR (0.39) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL31520042 0.79 TSHR (0.39) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL10329698 0.79 TSHR (0.39) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL8972064 0.78 PPM1B (0.37) TSHR
SCHEMBL17848809 0.77 GABRR1 (0.33)
SCHEMBL8971023 0.77 RAB9A (0.39) TSHRGRM2GRM3
SCHEMBL70312 0.76 GABRR1 (0.43) KDM4ELMNATDP1GRM2GRM3

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