Sugi Predict

Sugi Predict / Compounds / SCHEMBL8924172

SCHEMBL8924172

SCHEMBL8924172

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)CCCCCCCC(=O)O)CC[C@H]4[C@@H]3CC[C@@H]12.CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CNC(=O)CCCCCCCC(=O)O)C3CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.54
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL8524564 0.94 AR (0.60) ARKCNH2
SCHEMBL8524562 0.94 AR (0.60) ARKCNH2
SCHEMBL8525806 0.91 HSD17B7 (0.53) —
SCHEMBL8525804 0.91 HSD17B7 (0.53) —
SCHEMBL8525403 0.88 AR (0.60) ARKCNH2
SCHEMBL8525401 0.88 AR (0.60) ARKCNH2
SCHEMBL8525503 0.87 AR (0.62) ARKCNH2
SCHEMBL8525501 0.87 AR (0.62) ARKCNH2
SCHEMBL8525163 0.86 AR (0.58) ARKCNH2
SCHEMBL8525164 0.86 AR (0.58) ARKCNH2

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-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 — — US disclosed