SCHEMBL19260907

SCHEMBL19260907

C[C@@H]1C[C@]23CC[C@H]4C(C)(C)C(C(=O)O)=CC[C@]4(C)[C@H]2CC[C@@H]1C3.C[C@@H]1C[C@]23CC[C@H]4C(C)(C)C=CC[C@]4(C)[C@H]2CC[C@@H]1C3

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 2/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.38
▸ EGLN3 Q9H6Z9 2/20 0.38
▸ P4HTM Q9NXG6 2/20 0.38

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
SCHEMBL123714 0.93 PTPN1 (0.33) —
SCHEMBL107027 0.83 EGLN2 (0.36) EGLN2EGLN1EGLN3P4HTM
SCHEMBL3491364 0.77 PTPN1 (0.36) EGLN2EGLN1EGLN3P4HTM
SCHEMBL10945933 0.71 — —
SCHEMBL8004090 0.71 ERAP1 (0.30) —
SCHEMBL3490392 0.71 HSD11B1 (0.35) —
SCHEMBL7091174 0.70 PTPN1 (0.34) —
SCHEMBL3491362 0.69 PTPN1 (0.35) —
SCHEMBL3491226 0.69 CES2 (0.40) —
SCHEMBL6902690 0.66 PTPN1 (0.32) —

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
WO-2017142993-A1 SECONDARY METABOLITE SCREENING SYSTEM MANUS BIOSYNTHESIS, INC. (US) 2017-08-24 — — WO disclosed
Send feedback