SCHEMBL6606488

SCHEMBL6606488

COc1cnc(CO)cc1OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
SIGMAR1 Q99720 10/20 0.48
EBP Q15125 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48

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
SCHEMBL6610798 0.93 PDE4A (0.48)
SCHEMBL6606792 0.87 SIGMAR1 (0.47) CYP11B1CYP11B2SIGMAR1EBPTMEM97
SCHEMBL6605638 0.84 SIGMAR1 (0.47) CYP11B1CYP11B2SIGMAR1EBPTMEM97
SCHEMBL10369595 0.81 PDGFRB (0.50)
SCHEMBL6606500 0.81 PDE4D (0.44) SIGMAR1EBPTMEM97
SCHEMBL3930071 0.78 PDE4A (0.47)
SCHEMBL30918494 0.78 PDE4A (0.47)
SCHEMBL6606686 0.78 PDE4B (0.42) SIGMAR1EBPTMEM97
SCHEMBL6608422 0.77 PDE4B (0.41)
SCHEMBL10676592 0.77 STAT3 (0.45) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed