SCHEMBL7471043

SCHEMBL7471043

O=C(O)CN(CC1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.50
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.38
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4A O75164 1/20 0.35
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
EPHX1 P07099 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
SCHEMBL21479581 0.81 ALOX5 (0.50) ALOX5LMNAKDM5APHF8KDM2A
SCHEMBL21582620 0.79 ALOX5 (0.48) ALOX5LMNAKDM5APHF8KDM2A
SCHEMBL4668913 0.78 ALOX5 (0.48) ALOX5HDAC1HDAC6LMNACYP2D6
SCHEMBL20018429 0.77 ALOX5 (0.47) ALOX5LMNAEYA2APPACE
SCHEMBL6680983 0.77 CTSK (0.37) ALOX5HDAC1HDAC6LMNAKDM5A
SCHEMBL2810316 0.74 CTSS (0.35) ALOX5LMNAEPHX1
SCHEMBL9464496 0.73 ALOX5 (0.34) ALOX5HDAC1HDAC6
SCHEMBL8773484 0.73 HDAC1 (0.61) HDAC1HDAC6LMNA
SCHEMBL7760755 0.72 ALOX5 (0.67) ALOX5HDAC1HDAC6CYP2D6EPHX1
SCHEMBL21242212 0.72 TDP1 (0.48) ALOX5LMNAEYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed