SCHEMBL8025327

SCHEMBL8025327

CC[C@H]1CC[C@H](C(=O)Oc2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.39
CA2 P00918 1/20 0.38
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAP2K1 Q02750 1/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14274428 0.96 HTT (0.37) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9764266 0.96 KMT2A (0.37) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8004608 0.90 CA2 (0.35) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9503498 0.89 KMT2A (0.38) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9764374 0.87 KMT2A (0.37) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8021671 0.87 GPR119 (0.34) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8016127 0.87 GPR119 (0.34) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8016132 0.87 GPR119 (0.34) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8016126 0.87 GPR119 (0.34) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8030907 0.86 MAPT (0.42) KMT2ATDP1HTTSMN1; SMN2F2

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 5 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-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
EP-0704512-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-04-03 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
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed