SCHEMBL8147486

SCHEMBL8147486

CCn1nc(O[C@@H]2c3cc(S(=O)(=O)c4ccc(O)cc4)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.33

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
SCHEMBL5341621 0.89 ABCC9 (0.34) ABCC9
SCHEMBL8148145 0.89 ABCC9 (0.34) ABCC9
SCHEMBL5338954 0.81 HTR6 (0.33) ABCC9
SCHEMBL3097671 0.81 HTR6 (0.33) ABCC9
SCHEMBL8155414 0.81 ABCC9 (0.33) ABCC9
SCHEMBL8142517 0.81 AXL (0.33) ABCC9
SCHEMBL7394642 0.80 ABCC9 (0.39) ABCC9
Water SCHEMBL5002583 0.80 HTR6 (0.33) ABCC9
SCHEMBL8149616 0.78 POLB (0.38) ABCC9
SCHEMBL8142354 0.77 HTR6 (0.34) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071938-A FOR TREATMENT OF SMOOTH MUSCLE DISORDERS PFIZER INC. (US) 2000-06-06 US disclosed
US-5912244-A MUSCLE DISORDERS, BREATHING DISORDERS AND URINARY INCONTINENCE PFIZER INC. (US) 1999-06-15 US disclosed
EP-0712398-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1997-05-07 EP disclosed
EP-0712398-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1996-05-22 EP disclosed
WO-1995004730-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1995-02-16 WO disclosed