SCHEMBL8978722

SCHEMBL8978722

CCCc1ccc(C#CC(C)(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.47
ACACB O00763 3/20 0.44
MAPT P10636 1/20 0.43
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCL1 Q07820 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8978928 0.89 PTGES2 (0.45) PTGES2MAPTLPLLIPGALDH1A1
SCHEMBL8978804 0.88 HSD17B10 (0.49) PTGES2LPLLIPGALDH1A1LMNA
SCHEMBL29116863 0.85 ACACB (0.46) PTGES2ACACBMAPTLPLLIPG
SCHEMBL13849645 0.85 CYP2A6 (0.47) PTGES2ACACBMAPTLPLLIPG
SCHEMBL12391039 0.82 ASIC3 (0.50) PTGES2MAPTASIC3GAAALDH1A1
SCHEMBL19432765 0.80 PTGES2 (0.43) PTGES2ACACBMAPTASIC3GAA
SCHEMBL9328434 0.80 ACACB (0.54) ACACBLPLLIPGTSHR
SCHEMBL8141107 0.80 ACACB (0.54) ACACBLPLLIPGTSHR
SCHEMBL25727921 0.79 LOXL2 (0.45) PTGES2MAPTASIC3GAAALDH1A1
SCHEMBL9511319 0.78 ACACB (0.53) ACACBLPLLIPGTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107628932-B Diluent containing side fluorine type tolane for high birefringence liquid crystal and synthetic method thereof 陕西师范大学 2021-02-09 CN disclosed
CN-1228293-C Reactive triphenyl diacetylene compound and liquid crystal polymer containing same IND TECH RES INST (CN) 2005-11-23 CN disclosed
CN-1413969-A Reactive triphenyl diacetylene compound and liquid crystal polymer containing same IND TECHNOLOGY INST (CN) 2003-04-30 CN disclosed
EP-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5437815-A Blending with ordinary liquid crystal compounds broadens practical temperature range of composition and produces an enlarged double refraction anisotropy SEIKO EPSON CORPORATION (JP) 1995-08-01 US disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 EP disclosed