SCHEMBL9764374

SCHEMBL9764374

CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2 P00734 1/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9503498 0.99 KMT2A (0.38) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8078007 0.95 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL6748513 0.95 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8078011 0.95 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL7521465 0.95 HTT (0.36) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9763935 0.92 MAPT (0.41) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9764266 0.92 KMT2A (0.37) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9764339 0.91 PKM (0.40) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL8030907 0.91 MAPT (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12031954 0.91 HTT (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed