SCHEMBL5087747

SCHEMBL5087747

CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C(C)[C@]4(C)C3C(O)C[C@@]21C.CC1=CC(=O)C=C2CC[C@@H]3[C@H](C(O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO)[C@@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.70
▸ PGR P06401 5/20 0.70
▸ SERPINA6 P08185 3/20 0.66
▸ AR P10275 3/20 0.66
▸ LMNA P02545 3/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ CYP3A4 P08684 5/20 0.62
▸ HSD17B10 Q99714 4/20 0.62
▸ NR3C1 P04150 3/20 0.62
▸ CYP2C19 P33261 3/20 0.62
▸ NR3C2 P08235 2/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ TNF P01375 1/20 0.62
▸ IL6 P05231 1/20 0.62
▸ GLUL P15104 1/20 0.62
▸ ADAM17 P78536 1/20 0.62
▸ GPBAR1 Q8TDU6 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NFKB1 P19838 2/20 0.59

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
SCHEMBL13232 0.97 HIF1A (0.74) HIF1APGRSERPINA6ARLMNA
SCHEMBL2299293 0.92 HIF1A (0.72) HIF1APGRSERPINA6ARLMNA
SCHEMBL13270299 0.92 HIF1A (0.72) HIF1APGRSERPINA6ARLMNA
SCHEMBL1512721 0.92 HIF1A (0.72) HIF1APGRSERPINA6ARLMNA
SCHEMBL719929 0.92 HIF1A (0.70) HIF1APGRSERPINA6ARLMNA
SCHEMBL10700873 0.90 HIF1A (0.64) HIF1APGRSERPINA6ARLMNA
Phosphoric Acid SCHEMBL5501494 0.89 NR3C1 (0.67) HIF1APGRSERPINA6ARLMNA
SCHEMBL10527431 0.88 HIF1A (0.62) HIF1APGRSERPINA6ARLMNA
Succinic Acid SCHEMBL7600416 0.88 HIF1A (0.66) HIF1APGRSERPINA6ARLMNA
Phosphoric Acid SCHEMBL1237365 0.87 NR3C1 (0.65) HIF1APGRSERPINA6ARLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029237-A2 COMBINATION THERAPIES FOR RHEUMATOID ARTHRITIS PFIZER PRODUCTS INC. (US) 2008-03-13 — — WO disclosed
WO-2001010907-A9 THERAPEUTIC POLYPEPTIDES AND METHODS FOR USING SAME UNIV MARYLAND BIOTECH INST (US) 2002-07-11 — — WO disclosed
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