SCHEMBL8168541

SCHEMBL8168541

C[C@]12CC[C@H](O)C[C@H]1CC[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 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 4/20 0.72
SERPINA6 P08185 3/20 0.55
HIF1A Q16665 6/20 0.52
CYP3A4 P08684 6/20 0.52
HSD17B10 Q99714 5/20 0.52
NR3C1 P04150 4/20 0.52
CYP2C19 P33261 3/20 0.52
PGR P06401 3/20 0.52
KMT2A Q03164 3/20 0.52
NR3C2 P08235 2/20 0.52
MAPT P10636 2/20 0.52
SHBG P04278 1/20 0.52
NFKB1 P19838 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABCB11 O95342 2/20 0.52
TNF P01375 1/20 0.52
IL6 P05231 1/20 0.52
AR P10275 1/20 0.52
GLUL P15104 1/20 0.52
ADAM17 P78536 1/20 0.52

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
SCHEMBL11206109 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL193712 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL18994229 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL5609666 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL93788 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL29450746 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL2510061 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL21328342 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL21973841 1.00 G6PD (0.72) G6PDSERPINA6HIF1ACYP3A4HSD17B10
SCHEMBL14983069 0.88 G6PD (0.58) G6PDSERPINA6CYP3A4CYP2C19KMT2A

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
US-6080407-A CYTOKINE-MEDIATED TOXICITY COMPRISING ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF AN ANTI-MACROPHAGE MIGRATION INHIBITORY FACTOR; GRAFT VERSUS HOST DISEASE, ANTISHOCK, -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-06-27 US disclosed