SCHEMBL7983302

SCHEMBL7983302

C[C@H](Oc1ccc(-c2ccc(F)c(S(N)(=O)=O)c2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
PTAFR P25105 4/20 0.39
ADAMTS4 O75173 2/20 0.38
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 2/20 0.35
NAMPT P43490 2/20 0.35
PSMB5 P28074 2/20 0.35
HSD17B1 P14061 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL7979929 1.00 CYP3A4 (0.39) CYP3A4PTAFRADAMTS4POLBHPGD
SCHEMBL7979925 1.00 CYP3A4 (0.39) CYP3A4PTAFRADAMTS4POLBHPGD
SCHEMBL7976666 0.93 CYP3A4 (0.39) CYP3A4PTAFRADAMTS4POLBHPGD
SCHEMBL7976671 0.93 CYP3A4 (0.39) CYP3A4PTAFRADAMTS4POLBHPGD
SCHEMBL7979810 0.90 HTT (0.39) PTAFRADAMTS4POLBHPGDHTT
SCHEMBL7979812 0.90 HTT (0.39) PTAFRADAMTS4POLBHPGDHTT
SCHEMBL7978426 0.89 CYP3A4 (0.38) CYP3A4PTAFRADAMTS4GRM2NAMPT
SCHEMBL7978428 0.89 CYP3A4 (0.38) CYP3A4PTAFRADAMTS4GRM2NAMPT
SCHEMBL7966622 0.88 PTAFR (0.39) PTAFRADAMTS4POLBHPGDHTT
SCHEMBL7966624 0.88 PTAFR (0.39) PTAFRADAMTS4POLBHPGDHTT

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 claimed