Sugi Predict

Sugi Predict / Compounds / SCHEMBL8953203

SCHEMBL8953203

SCHEMBL8953203

CC1CC(=O)CC(=O)C1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NFKB1 P19838 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ GAA P10253 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30

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
SCHEMBL6545071 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1ALOX12GAA
SCHEMBL30637031 0.80 MAPK1 (0.44) MAPK1ALDH1A1ALOX12NFKB1NFKB2
SCHEMBL4846520 0.79 ALDH1A1 (0.56) ALDH1A1ALOX12GAA
SCHEMBL30637030 0.79 MAPK1 (0.43) MAPK1ALDH1A1ALOX12NFKB1NFKB2
SCHEMBL8502739 0.78 ALDH1A1 (0.54) ALDH1A1ALOX12GAA
SCHEMBL9049892 0.77 ALDH1A1 (0.33) MAPK1ALDH1A1ALOX12
SCHEMBL9049885 0.77 ALDH1A1 (0.33) MAPK1ALDH1A1ALOX12
SCHEMBL11014967 0.76 MAPK1 (0.50) MAPK1ALDH1A1NFKB1NFKB2RELA
SCHEMBL6545133 0.74 ALDH1A1 (0.42) MAPK1ALDH1A1ALOX12
SCHEMBL14153128 0.70 ALDH1A1 (0.34) MAPK1ALDH1A1ALOX12

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-5580894-A NERVOUS SYSTEM DISORDERS HOWARD UNIVERSITY (US) 1996-12-03 — — US disclosed