SCHEMBL5084598

SCHEMBL5084598

Cc1ccc(S(=O)(=O)OC2CCC(O)CC2)c(C2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
CYP2D6 P10635 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
EPHX2 P34913 5/20 0.33
MCOLN3 Q8TDD5 2/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5084572 0.82 HDAC3 (0.33)
SCHEMBL16684746 0.81 LMNA (0.42) CYP2D6SMN1; SMN2EPHX2LMNAMAPT
SCHEMBL16684745 0.80 PTGDR2 (0.36) PTGDR2TSHRKMT2ATP53CASP1
SCHEMBL361128 0.77 PTGDR2 (0.49) PTGDR2TSHRMEN1KMT2ANPC1
SCHEMBL27527920 0.76 KMT2A (0.43) CYP2D6TSHRMEN1KMT2ANPC1
SCHEMBL6086222 0.76 PTGDR2 (0.42) PTGDR2TSHRMEN1KMT2ATP53
SCHEMBL3387056 0.76 PTGDR2 (0.36) PTGDR2MEN1KMT2AEPHX2MCOLN3
SCHEMBL5278348 0.75 PTGDR2 (0.47) PTGDR2TSHRMEN1KMT2ATP53
SCHEMBL28704162 0.75 PTGDR2 (0.42) PTGDR2TSHRMEN1KMT2ATP53
SCHEMBL2217850 0.74 PTGDR2 (0.46) PTGDR2TSHRMEN1KMT2ATP53

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
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO claimed
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO disclosed