SCHEMBL22202018

SCHEMBL22202018

CCC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(CC)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
HSD11B1 P28845 1/20 0.37
LMNA P02545 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ELANE P08246 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 2/20 0.36
MMP2 P08253 3/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
MMP13 P45452 2/20 0.33
POLB P06746 2/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP16 P51512 1/20 0.33

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
SCHEMBL13064047 1.00 HTT (0.39) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL16260250 0.96 HTT (0.37) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL19322782 0.93 HTT (0.40) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL9915249 0.92 HTT (0.39) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL12961576 0.92 HSD11B1 (0.42) HTTSMN1; SMN2HSD11B1ELANEMAPT
SCHEMBL14231427 0.91 HTT (0.40) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL10033513 0.91 ALDH1A1 (0.41) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL14364715 0.91 HTT (0.40) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL24300674 0.90 HTT (0.39) HTTSMN1; SMN2HSD11B1LMNANPC1
SCHEMBL12463906 0.90 NPC1 (0.49) HTTSMN1; SMN2HSD11B1LMNANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953142-B2 Biological component adhesion-suppressing material TORAY INDUSTRIES, INC. (JP) 2021-03-23 US disclosed
US-20200215239-A1 BIOLOGICAL COMPONENT ADHESION-SUPPRESSING MATERIAL TORAY INDUSTRIES, INC. (JP) 2020-07-09 US disclosed