SCHEMBL8071483

SCHEMBL8071483

C=CCCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.52
STAT3 P40763 1/20 0.51
PIK3CD O00329 1/20 0.40
FAAH O00519 9/20 0.36
MGLL Q99685 3/20 0.36
IDH1 O75874 5/20 0.32

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
SCHEMBL8071484 1.00 IL6ST (0.52) IL6STSTAT3PIK3CDFAAHMGLL
SCHEMBL31519433 0.92 IL6ST (0.54) IL6STSTAT3PIK3CDFAAHMGLL
SCHEMBL31519430 0.92 IL6ST (0.54) IL6STSTAT3PIK3CDFAAHMGLL
SCHEMBL31519428 0.92 IL6ST (0.54) IL6STSTAT3PIK3CDFAAHMGLL
SCHEMBL31519421 0.92 IL6ST (0.54) IL6STSTAT3PIK3CDFAAHMGLL
SCHEMBL11936835 0.85 IL6ST (0.61) IL6STSTAT3PIK3CDIDH1
SCHEMBL8847941 0.85 IL6ST (0.55) IL6STSTAT3PIK3CDFAAHIDH1
SCHEMBL8847665 0.85 IL6ST (0.55) IL6STSTAT3PIK3CDFAAHIDH1
SCHEMBL2071035 0.84 IL6ST (0.57) IL6STSTAT3PIK3CDIDH1
SCHEMBL31519442 0.83 IL6ST (0.63) IL6STSTAT3PIK3CDIDH1

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-6156905-A Deoxy epothilones and intermediates utilized in the process for preparing epothilones NOVARTIS AG (CH) 2000-12-05 US disclosed