SCHEMBL7979812

SCHEMBL7979812

Cc1ccc(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)cc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTAFR P25105 5/20 0.39
NAMPT P43490 2/20 0.37
TSHR P16473 1/20 0.37
ADAMTS4 O75173 2/20 0.37
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PSMB5 P28074 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KCNJ1 P48048 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
SCHEMBL7979810 1.00 HTT (0.39) HTTSMN1; SMN2ALDH1A1PTAFRNAMPT
SCHEMBL7966624 0.93 PTAFR (0.39) HTTSMN1; SMN2ALDH1A1PTAFRNAMPT
SCHEMBL7966622 0.93 PTAFR (0.39) HTTSMN1; SMN2ALDH1A1PTAFRNAMPT
SCHEMBL7979925 0.90 CYP3A4 (0.39) HTTSMN1; SMN2PTAFRNAMPTADAMTS4
SCHEMBL7979929 0.90 CYP3A4 (0.39) HTTSMN1; SMN2PTAFRNAMPTADAMTS4
SCHEMBL7983302 0.90 CYP3A4 (0.39) HTTSMN1; SMN2PTAFRNAMPTADAMTS4
SCHEMBL7976671 0.88 CYP3A4 (0.39) HTTSMN1; SMN2PTAFRNAMPTADAMTS4
SCHEMBL7976666 0.88 CYP3A4 (0.39) HTTSMN1; SMN2PTAFRNAMPTADAMTS4
SCHEMBL7966630 0.86 CA2 (0.47) HTTSMN1; SMN2ALDH1A1PTAFRNAMPT
SCHEMBL7966628 0.86 CA2 (0.47) HTTSMN1; SMN2ALDH1A1PTAFRNAMPT

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

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