SCHEMBL9841725

SCHEMBL9841725

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
LSS P48449 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL9841740 1.00 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841176 1.00 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841520 0.99 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841810 0.97 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9842010 0.97 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841211 0.97 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841425 0.95 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841751 0.95 KMT2A (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841607 0.92 KMT2A (0.41) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841966 0.90 HTT (0.46) 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