SCHEMBL9503498

SCHEMBL9503498

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.37
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 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
SCHEMBL9764374 0.99 KMT2A (0.37) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL7521465 0.96 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL6748513 0.96 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8078011 0.96 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8078007 0.96 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12031954 0.92 HTT (0.33) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8030907 0.92 MAPT (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9763935 0.91 MAPT (0.41) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9763551 0.91 PKM (0.40) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL13513028 0.91 PKM (0.40) KMT2AHTTSMN1; SMN2TDP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387032-B1 TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME CHISSO CORP (JP) 1993-06-16 EP disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed