Sugi Predict

Sugi Predict / Compounds / SCHEMBL27633498

SCHEMBL27633498

SCHEMBL27633498

COCCOCCc1ccc2c(c1)cc(C(=O)O)n2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 0.41
▸ NR1H3 Q13133 3/20 0.41
▸ CCR2 P41597 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27633493 0.84 NR1H2 (0.48) NR1H2NR1H3CCR2PTGES
SCHEMBL25308409 0.77 NR1H2 (0.39) NR1H2NR1H3PTGES
SCHEMBL3995157 0.75 NR1H2 (0.42) NR1H2NR1H3CCR2KDM4EALDH1A1
SCHEMBL1565970 0.74 MCL1 (0.57) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL5677246 0.74 CCR2 (0.43) NR1H2NR1H3CCR2KDM4EALDH1A1
SCHEMBL29781083 0.72 NR1H2 (0.55) NR1H2NR1H3ALDH1A1
SCHEMBL7902953 0.72 NR1H2 (0.55) NR1H2NR1H3ALDH1A1
SCHEMBL4598740 0.71 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL28808282 0.71 CCR2 (0.47) NR1H2NR1H3CCR2ALDH1A1SMN1; SMN2
SCHEMBL4598502 0.70 NR1H2 (0.41) NR1H2NR1H3

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
CN-1795175-A Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARM INC (US) 2006-06-28 — — CN disclosed
Send feedback