SCHEMBL6662813

SCHEMBL6662813

C/C=C/[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc([C@H]4CC[C@H](C)CC4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
SPHK1 Q9NYA1 3/20 0.32
SIGMAR1 Q99720 1/20 0.30
HTR2C P28335 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
SCHEMBL6665069 0.95 SPHK1 (0.34) SPHK1HTR2C
SCHEMBL6664362 0.92 HTR2C (0.39) SPHK1HTR2C
SCHEMBL6666585 0.90 SPHK1 (0.31) SPHK1
SCHEMBL6663932 0.90 SPHK1 (0.31) SPHK1
SCHEMBL6663430 0.89 ESR2 (0.42) ESR2SPHK1SIGMAR1HTR2C
SCHEMBL6666538 0.89 SPHK1 (0.30) SPHK1
SCHEMBL6666344 0.89 SPHK1 (0.33) SPHK1
SCHEMBL6665435 0.88 SLC6A4 (0.33)
SCHEMBL6665964 0.88 SPHK1 (0.30) SPHK1
SCHEMBL6666293 0.88 ALDH1A1 (0.40) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed