SCHEMBL24465291

SCHEMBL24465291

CC(F)COC(=O)C1C2C=CC(C2)C1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.39
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CASP6 P55212 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11568585 0.79 POLB (0.47) ALDH1A1SMN1; SMN2POLBHTTTSHR
SCHEMBL1196057 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBHTTNPC1
SCHEMBL1088452 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBHTTRAB9A
SCHEMBL14409195 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBHTTNPC1
SCHEMBL17616821 0.75 LMNA (0.42) ALDH1A1SMN1; SMN2POLBHTTRAB9A
SCHEMBL14827587 0.73 KDM4E (0.38) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL25641876 0.73 KDM4E (0.38) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL13198683 0.73 KDM4E (0.38) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6353563 0.73 KDM4E (0.38) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL13517735 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBHTTNPC1

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed