SCHEMBL19976337

SCHEMBL19976337

CC(C)c1cccc2c(S(=O)(=O)N3CCCC3C(=O)O)cccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
BRD4 O60885 1/20 0.53
HTT P42858 2/20 0.49
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
POLB P06746 1/20 0.47
CCR4 P51679 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL2706418 0.81 HCRTR1 (0.64) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL2705837 0.81 HCRTR1 (0.64) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL5743967 0.81 KMT2A (0.60) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL31363195 0.81 KMT2A (0.60) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL5743956 0.81 KMT2A (0.60) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL16675421 0.78 KMT2A (0.62) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL26204985 0.78 KMT2A (0.62) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL30203995 0.78 KMT2A (0.62) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL8842866 0.78 KDM4E (0.57) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL27932411 0.76 POLB (0.58) KDM4ETSHRCASP1CASP7BRD4

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-9920020-B2 Using squaraine dyes as near infrared fluorescent sensors for protein detection THE UNIVERSITY OF AKRON (US) 2018-03-20 US disclosed