SCHEMBL8969037

SCHEMBL8969037

CC(C)COC1CCCCCCC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.40
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL8970488 1.00 GSR (0.40) GSRCTSVCTSLCTSBCTSS
SCHEMBL8970573 0.98 GSR (0.38) GSRCTSVCTSLCTSBCTSS
SCHEMBL26039152 0.94 CTSV (0.38) GSRCTSVCTSLCTSBCTSS
SCHEMBL8969283 0.94 CTSV (0.38) GSRCTSVCTSLCTSBCTSS
SCHEMBL3185516 0.83 CTSV (0.40) CTSVCTSLCTSBCTSSCTSK
SCHEMBL4753054 0.81 GSR (0.41) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8970614 0.80 CA1 (0.35) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8970682 0.80 CA1 (0.35) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8969503 0.78 CA1 (0.36) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8970301 0.77 GSR (0.44) GSRNPY1RNPY2RNPY4RNPY5R

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