SCHEMBL6451798

SCHEMBL6451798

CN(C)C=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 3/20 0.51
KEAP1 Q14145 1/20 0.50
FFAR1 O14842 1/20 0.47
ALOX5 P09917 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL23630344 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AKEAP1FFAR1ALOX5
SCHEMBL6455284 0.87 KMT2A (0.49) ALDH1A1KMT2AKEAP1FFAR1ALOX5
SCHEMBL4392240 0.82 CYP3A4 (0.58) ALDH1A1KMT2AALOX5HDAC8HDAC6
SCHEMBL9009723 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AKEAP1FFAR1TDP1
SCHEMBL8166222 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AKEAP1FFAR1TDP1
SCHEMBL10507164 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AKEAP1FFAR1TDP1
SCHEMBL166472 0.77 KEAP1 (0.55) ALDH1A1KMT2AKEAP1FFAR1TDP1
SCHEMBL10899478 0.77 KEAP1 (0.55) ALDH1A1KMT2AKEAP1FFAR1TDP1
SCHEMBL2682990 0.77 KEAP1 (0.55) ALDH1A1KMT2AKEAP1FFAR1TDP1
SCHEMBL9619650 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AKEAP1FFAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP claimed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US claimed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO claimed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US claimed
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP disclosed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US disclosed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO disclosed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US disclosed