SCHEMBL27700555

SCHEMBL27700555

C[C@@]12C(=CC(=O)C=C1OC(=O)CCCCCC(=O)O)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 13/20 0.59
HSD17B10 Q99714 4/20 0.59
NR3C1 P04150 4/20 0.59
NR3C2 P08235 4/20 0.59
PGR P06401 4/20 0.59
CYP2C19 P33261 3/20 0.59
SERPINA6 P08185 3/20 0.59
CYP3A4 P08684 3/20 0.59
AR P10275 2/20 0.59
ABCB11 O95342 1/20 0.59
TNF P01375 1/20 0.59
IL6 P05231 1/20 0.59
GLUL P15104 1/20 0.59
ADAM17 P78536 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
NFKB1 P19838 2/20 0.55
SHBG P04278 1/20 0.55

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
SCHEMBL27748218 0.94 HIF1A (0.61) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL7142740 0.94 HIF1A (0.60) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL7145318 0.94 HIF1A (0.60) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL28286516 0.94 HIF1A (0.60) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL7613028 0.94 HIF1A (0.60) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL7986 0.93 HIF1A (0.60) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL677626 0.93 HIF1A (0.61) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL945988 0.93 HIF1A (0.65) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL22042713 0.92 HIF1A (0.59) HIF1AHSD17B10NR3C1NR3C2PGR
SCHEMBL264554 0.92 HIF1A (0.64) HIF1AHSD17B10NR3C1NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101796039-B Phenylacetic acid compound ONO PHARMACEUTICAL CO 2012-09-19 CN disclosed
CN-101796039-A Phenylacetic acid compound ONO PHARMACEUTICAL CO 2010-08-04 CN disclosed
CN-101759628-A Ethynylindole compounds ONO PHARMACEUTICAL CO 2010-06-30 CN disclosed
CN-101534862-A External preparation for skin ROHTO PHARMA (JP) 2009-09-16 CN disclosed
CN-101443322-A Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
CN-101340916-A Preparation for external use having improved temporal stability of steroid KOWA CO (JP) 2009-01-07 CN disclosed
CN-101115709-A Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO (JP) 2008-01-30 CN disclosed
CN-101094662-A Hydrous adhesive patch KOWA CO (JP) 2007-12-26 CN disclosed
CN-101056855-A Nitrogen-containing heterocyclic derivative and drug containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2007-10-17 CN disclosed