SCHEMBL8046378

SCHEMBL8046378

CCOCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)cc3)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
SSTR5 P35346 2/20 0.35
KCNH2 Q12809 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CAMKK1 Q8N5S9 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
CNR2 P34972 3/20 0.33
MAP2K1 Q02750 1/20 0.33
CNR1 P21554 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
PTGIR P43119 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
SCHEMBL8047119 0.92 RARA (0.36) NOTUMGRIA2GRIA4SSTR5KCNH2
SCHEMBL8048355 0.91 RARB (0.41) NOTUMGRIA2GRIA4SSTR5KCNH2
SCHEMBL8045313 0.91 RARB (0.39) NOTUMGRIA2GRIA4CHRM2CHRM1
SCHEMBL7516185 0.90 NOTUM (0.39) NOTUMGRIA2GRIA4CYP11B1CYP11B2
SCHEMBL7518239 0.88 NOTUM (0.38) NOTUMGRIA2GRIA4CYP11B1CYP11B2
SCHEMBL7507636 0.86 NOTUM (0.36) NOTUMGRIA2GRIA4CYP11B1CYP11B2
SCHEMBL7514451 0.85 NOTUM (0.36) NOTUMGRIA2GRIA4CYP11B1CYP11B2
SCHEMBL8045787 0.80 GRIA2 (0.36) NOTUMGRIA2GRIA4CYP11B1CYP11B2
SCHEMBL8034244 0.76 GRIA2 (0.40) GRIA2GRIA4RARARARBXDH
SCHEMBL7511079 0.73 GRIA2 (0.47) GRIA2GRIA4MAP2K1XDHSLC22A12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed