SCHEMBL7476835

SCHEMBL7476835

CC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HDAC1 Q13547 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
RAB9A P51151 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MCL1 Q07820 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL7472989 0.86 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7471110 0.86 ALDH1A1 (0.54) ALDH1A1HDAC1HDAC6MAPTSMN1; SMN2
SCHEMBL8012604 0.82 ALDH1A1 (0.59) ALDH1A1HDAC1HDAC6MAPTSMN1; SMN2
SCHEMBL8265643 0.81 TRPV1 (0.71) ALDH1A1HDAC1HDAC6MAPTSMN1; SMN2
SCHEMBL10201372 0.77 RAB9A (0.72) ALDH1A1HDAC1HDAC6MAPTSMN1; SMN2
SCHEMBL10891102 0.77 HDAC6 (0.71) ALDH1A1HDAC1HDAC6NPSR1
SCHEMBL7468687 0.76 ALDH1A1 (0.53) ALDH1A1HDAC1MAPTSMN1; SMN2NPC1
SCHEMBL7470123 0.76 MAPT (0.58) ALDH1A1HDAC1MAPTSMN1; SMN2NPC1
SCHEMBL27510843 0.75 HDAC1 (0.70) ALDH1A1HDAC1HDAC6MAPTSMN1; SMN2
SCHEMBL7747809 0.75 ALDH1A1 (0.55) ALDH1A1HDAC1HDAC6MAPTSMN1; SMN2

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