SCHEMBL4444196

SCHEMBL4444196

O=C(O)CCCCCCCCCCCCCCCCCSc1nnc(S)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.57
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.38
PTK2 Q05397 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
TP53 P04637 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
SCHEMBL9740016 0.94 APEX1 (0.61) APEX1KDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL1962796 0.87 APEX1 (0.76) APEX1KDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL12716522 0.83 ALDH1A1 (0.47) APEX1TDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10685559 0.81 APEX1 (0.78) APEX1KDM4ETDP1ALDH1A1SMN1; SMN2
Sebacic Acid SCHEMBL8769719 0.81 TSHR (0.52) TDP1ALDH1A1LMNATSHRNFKB1
SCHEMBL9383690 0.80 ALDH1A1 (0.46) APEX1KDM4ETDP1ALDH1A1GAA
SCHEMBL9383875 0.79 ALDH1A1 (0.47) APEX1KDM4ETDP1ALDH1A1GAA
SCHEMBL10709713 0.77 ALDH1A1 (0.65) APEX1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL10012862 0.77 ALDH1A1 (0.65) APEX1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL11973552 0.77 ALDH1A1 (0.65) APEX1ALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539829-B1 CHLORINATED POLYOLEFINS AND PROCESS FOR THEIR PRODUCTION SHOWA DENKO KK (JP) 2009-11-11 EP disclosed
US-7354975-B2 Chlorinated polyolefins and process for their production SHOWA DENKO K.K. (JP) 2008-04-08 US disclosed
US-20060047087-A1 Chlorinated polyolefins and process for their production SHOWA DENKO K.K. (JP) 2006-03-02 US disclosed
US-6815478-B2 ZEOLITE COMPOUND, A VULCANIZING AGENT, AND AN ORGANIC VULCANIZATION ACCELERATOR DAISO CO., LTD. (JP) 2004-11-09 US disclosed
US-20030153652-A1 Chlorine-containing polymer vulcanizing composition DAISO CO., LTD (JP) 2003-08-14 US disclosed
US-6500884-B1 STORAGE STABLE BLEND OF A ZEOLITE, A VULCANIZING AGENT SELECTED FROM THE GROUP CONSISTING OF A MERCAPTOTRIAZINE COMPOUND AND A THIADIAZOLE COMPOUND, AND AN ORGANIC VULCANIZATION ACCELERATOR DAISO CO., LTD. (JP) 2002-12-31 US disclosed