SCHEMBL7472970

SCHEMBL7472970

CC(C)(C)OC(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.62
CTSL P07711 2/20 0.62
CTSB P07858 2/20 0.62
AKT1 P31749 3/20 0.58
SIGMAR1 Q99720 1/20 0.51
IDO1 P14902 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
SYK P43405 1/20 0.46
PTGES O14684 1/20 0.46
RECQL P46063 1/20 0.46
CTSK P43235 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL20902266 0.90 CTSS (0.55) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL7745572 0.88 CTSL (0.53) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL6631329 0.85 AKT1 (0.54) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL29194774 0.84 MTNR1A (0.47) CTSSCTSLCTSBPTGESALDH1A1
SCHEMBL30855367 0.84 MTNR1A (0.47) CTSSCTSLCTSBPTGESALDH1A1
SCHEMBL3491453 0.83 SYK (0.53) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL7477925 0.82 AKT1 (0.51) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL7477929 0.82 AKT1 (0.51) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL22833183 0.82 CTSL (0.54) CTSSCTSLCTSBAKT1SIGMAR1
SCHEMBL21089622 0.81 CTSS (0.47) CTSSCTSLCTSBAKT1SIGMAR1

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-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-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