SCHEMBL7119223

SCHEMBL7119223

CC(C)(C)n1cc(C(=O)O)c(=O)c2ccc(I)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CAPN1 P07384 1/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CHRM1 P11229 1/20 0.35

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
SCHEMBL4150175 0.89 KDM4E (0.42) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL7128889 0.86 LMNA (0.37) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL7125756 0.82 LMNA (0.46) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL27976815 0.80 KDM4E (0.36) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL27976888 0.78 ALDH1A1 (0.41) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL15999549 0.78 KDM4E (0.39) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL4149301 0.78 KDM4E (0.57) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL7845387 0.77 ALDH1A1 (0.46) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL7122619 0.75 CAPN1 (0.52) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10698481 0.75 KDM4E (0.46) LMNAKDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed