SCHEMBL9841311

SCHEMBL9841311

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(S(F)(F)(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.41
ELANE P08246 2/20 0.40
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TLR4 O00206 1/20 0.34
CA2 P00918 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
SCHEMBL9841966 0.96 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841607 0.93 KMT2A (0.41) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841425 0.92 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841810 0.91 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841211 0.91 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9842010 0.91 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841652 0.90 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841751 0.89 KMT2A (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841520 0.88 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841740 0.87 HTT (0.42) 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