SCHEMBL6584468

SCHEMBL6584468

CC(C)(c1ccc(OCC(=O)Cl)cc1)c1ccc(OCC(=O)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 2/20 0.48
AR P10275 2/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 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
SCHEMBL628857 0.89 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL8017456 0.84 SMN1; SMN2 (0.51) SMN1; SMN2POLBMAPTNPC1RAB9A
SCHEMBL2117441 0.84 ALOX15 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL3389094 0.83 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL9220908 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMEN1KMT2AHIF1A
SCHEMBL12611856 0.81 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1
SCHEMBL12227872 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL197953 0.79 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2717154 0.79 MAPT (0.62) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL2721374 0.79 LMNA (0.56) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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-1060175-B1 TRYPTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2004-11-17 EP disclosed
US-6613769-B1 Incubating samples with enzyme inhibitors, then determining complexes formed; medical diagnosis; therapy for allergies and inflammation Max-Planck-Gesellschaft zur Föderung der Wissenschaften. e.V. (DE) 2003-09-02 US disclosed
US-6489327-B1 TREATING A DISEASE SUSCEPTIBLE TO TRYPTASE INHIBITION SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS OR RHINITIS MAX-PLANCK-GESELLSCHAFT ZUR FORDRUNGDER WISENSCHAFTEN, E.V. (DE) 2002-12-03 US disclosed
EP-1060171-A2 TRYPTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-12-20 EP disclosed
EP-1060175-A2 TRYPTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-12-20 EP disclosed
WO-1999040083-A2 BIFUNCTIONAL TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 WO disclosed
WO-1999040073-A2 TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 WO disclosed