SCHEMBL8947174

SCHEMBL8947174

COc1c(C(C)(C)C)cc(-c2nnnn2CC(=O)O)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HSD11B1 P28845 3/20 0.39
PTGS2 P35354 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
PTGS1 P23219 1/20 0.37
TNFRSF1A P19438 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 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
SCHEMBL8947163 0.89 TRPV1 (0.39) ALDH1A1HPGDHSD11B1PTGS2PTGS1
SCHEMBL8947341 0.86 ALDH1A1 (0.53) ALDH1A1HPGDPTGS2PTGS1LMNA
SCHEMBL8947137 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHSD11B1KDM4CLMNA
SCHEMBL8947282 0.78 PTGS1 (0.46) ALDH1A1HPGDPTGS2PTGS1CYP1A2
SCHEMBL8947259 0.77 ALDH1A1 (0.61) ALDH1A1HPGDHSD11B1KDM4CLMNA
SCHEMBL8947265 0.75 ALDH1A1 (0.68) ALDH1A1HPGDHSD11B1KDM4CSMN1; SMN2
SCHEMBL5966725 0.75 ALDH1A1 (0.68) ALDH1A1HPGDHSD11B1PTGS2KDM4C
SCHEMBL8947235 0.74 ALDH1A1 (0.59) ALDH1A1HPGDHSD11B1LMNASMN1; SMN2
SCHEMBL8947238 0.73 RECQL (0.60) ALDH1A1HPGDHSD11B1KDM4CLMNA
SCHEMBL8947331 0.73 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1KDM4CLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed