Sugi Predict

Sugi Predict / Compounds / SCHEMBL30176889

SCHEMBL30176889

SCHEMBL30176889

CC1(C)C2CCC1(C)C(C(=O)OOC(=O)C1CC3CCC1(C)C3(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EPHX2 P34913 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39

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
SCHEMBL6901550 0.87 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL16678271 0.87 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL27758538 0.86 MAPT (0.40) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL8996550 0.83 MAPT (0.55) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL924280 0.81 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL16678151 0.81 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL31180745 0.81 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL7158785 0.81 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL7080802 0.81 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1
SCHEMBL31180746 0.81 EPHX2 (0.44) MAPTMAPK1KMT2AEPHX2ALDH1A1

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
EP-4125872-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY Stemline Therapeutics Inc. (US) 2023-02-08 — — EP disclosed