SCHEMBL9764266

SCHEMBL9764266

CC[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 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAP2K1 Q02750 1/20 0.33
CHRM2 P08172 1/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8025327 0.96 KMT2A (0.40) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL14274428 0.92 HTT (0.37) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9764374 0.92 KMT2A (0.37) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9503498 0.90 KMT2A (0.38) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9763935 0.90 MAPT (0.41) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9764354 0.89 HTT (0.37) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9764339 0.88 PKM (0.40) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL8030907 0.88 MAPT (0.42) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9763569 0.87 KMT2A (0.41) KMT2ATDP1HTTSMN1; SMN2F2
SCHEMBL9763888 0.87 KMT2A (0.41) 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 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