SCHEMBL7983208

SCHEMBL7983208

C[C@H](Oc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.45
PTGS2 P35354 3/20 0.44
NAMPT P43490 2/20 0.43
TBXAS1 P24557 2/20 0.43
MMP1 P03956 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
JAK2 O60674 2/20 0.41
PTK2 Q05397 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTAFR P25105 1/20 0.39

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
SCHEMBL8016580 1.00 ADAMTS4 (0.45) ADAMTS4PTGS2NAMPTTBXAS1MMP1
SCHEMBL7966264 0.91 PTAFR (0.44) ADAMTS4PTGS2NAMPTHTTSMN1; SMN2
SCHEMBL7966628 0.91 CA2 (0.47) ADAMTS4NAMPTTBXAS1MMP1MMP9
SCHEMBL7966630 0.91 CA2 (0.47) ADAMTS4NAMPTTBXAS1MMP1MMP9
SCHEMBL7976863 0.87 PTAFR (0.42) ADAMTS4POLBHPGDHTTSMN1; SMN2
SCHEMBL7980129 0.87 PTAFR (0.42) ADAMTS4POLBHPGDHTTSMN1; SMN2
SCHEMBL7966197 0.87 PTAFR (0.42) ADAMTS4POLBHPGDHTTSMN1; SMN2
SCHEMBL7976881 0.87 PTAFR (0.42) ADAMTS4POLBHPGDHTTSMN1; SMN2
SCHEMBL7977066 0.87 PTAFR (0.42) ADAMTS4POLBHPGDHTTSMN1; SMN2
SCHEMBL7978664 0.87 PTAFR (0.42) ADAMTS4POLBHPGDHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed