SCHEMBL7649083

SCHEMBL7649083

O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
HTT P42858 2/20 0.48
RORC P51449 1/20 0.48
BDKRB2 P30411 1/20 0.45
BDKRB1 P46663 1/20 0.45
PLAU P00749 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL6944021 0.96 MMP8 (0.53) ALDH1A1MMP8MMP12MMP13HTT
SCHEMBL6939720 0.96 MMP8 (0.53) ALDH1A1MMP8MMP12MMP13HTT
SCHEMBL7643692 0.93 RORC (0.45) ALDH1A1MMP8MMP12MMP13HTT
SCHEMBL7815324 0.86 RORC (0.51) ALDH1A1MMP8MMP12MMP13HTT
SCHEMBL7718792 0.83 BDKRB2 (0.49) RORCBDKRB2BDKRB1
SCHEMBL7811395 0.81 BDKRB2 (0.60) RORCBDKRB2BDKRB1
SCHEMBL6941547 0.81 TSHR (0.37) ALDH1A1MMP8MMP12MMP13RORC
SCHEMBL6941551 0.81 TSHR (0.37) ALDH1A1MMP8MMP12MMP13RORC
SCHEMBL7650181 0.81 ALDH1A1 (0.48) ALDH1A1MMP8MMP12MMP13RORC
SCHEMBL6941549 0.81 TSHR (0.37) ALDH1A1MMP8MMP12MMP13RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed