Sugi Predict

Sugi Predict / Compounds / SCHEMBL8501975

SCHEMBL8501975

SCHEMBL8501975

C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)NOC(=O)CC)[C@H](O)[C@@]2(C)O1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 20/20 0.77

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
SCHEMBL8500515 0.91 ADCY1 (0.76) ADCY1
SCHEMBL11538072 0.91 ADCY1 (0.77) ADCY1
SCHEMBL8500908 0.87 ADCY1 (0.82) ADCY1
SCHEMBL9301783 0.87 ADCY1 (0.82) ADCY1
SCHEMBL8500754 0.87 ADCY1 (0.82) ADCY1
SCHEMBL9631043 0.85 ADCY1 (0.79) ADCY1
SCHEMBL8640465 0.85 ADCY1 (0.76) ADCY1
SCHEMBL8846125 0.85 ADCY1 (1.00) ADCY1
SCHEMBL8845432 0.84 ADCY1 (0.76) ADCY1
SCHEMBL8240684 0.84 ADCY1 (0.80) ADCY1

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-5869520-A REDUCING INTRAOCULAR PRESSURE HOECHST MARION ROUSSEL, INC. (US) 1999-02-09 — — US disclosed
US-5646175-A FOR TREATING CARDIAC FAILURE HOECHST MARION ROUSSEL, INC. (US) 1997-07-08 — — US disclosed
US-5543427-A ADMINISTERING TO REDUCE INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-08-06 — — US disclosed
US-5374650-A Reducing intraocular pressure HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-12-20 — — US disclosed
US-4920146-A GLAUCOMA AND CARDIAC FAILURE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1990-04-24 — — US disclosed