SCHEMBL9841966

SCHEMBL9841966

CCC[C@H]1CC[C@H](C(=O)Oc2ccc(S(F)(F)(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F2 P00734 1/20 0.43
ELANE P08246 2/20 0.43
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CA2 P00918 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9841311 0.96 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841751 0.92 KMT2A (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841520 0.91 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841725 0.90 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841740 0.90 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841176 0.90 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841338 0.89 KMT2A (0.49) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841607 0.89 KMT2A (0.41) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL13135346 0.89 HTT (0.58) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841425 0.88 HTT (0.40) HTTKMT2ASMN1; 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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed