SCHEMBL8668291

SCHEMBL8668291

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H](C(=O)CO)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.80
CYP3A4 P08684 5/20 0.80
HIF1A Q16665 4/20 0.80
LMNA P02545 4/20 0.80
CYP2C9 P11712 3/20 0.80
NR3C1 P04150 1/20 0.80
PGR P06401 1/20 0.80
SERPINA6 P08185 4/20 0.71
SHBG P04278 4/20 0.71
HSD17B10 Q99714 3/20 0.71
NR3C2 P08235 3/20 0.71
TSHR P16473 2/20 0.71
MAPT P10636 2/20 0.71
MAPK1 P28482 2/20 0.71
BLM P54132 1/20 0.71
SLC22A2 O15244 1/20 0.71
SLC22A1 O15245 1/20 0.71
SLC22A3 O75751 1/20 0.71
NFKB1 P19838 1/20 0.71
THPO P40225 1/20 0.71

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
SCHEMBL8668298 1.00 SMN1; SMN2 (0.80) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
SCHEMBL137293 0.91 SMN1; SMN2 (0.72) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
SCHEMBL2175877 0.91 SMN1; SMN2 (0.72) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
SCHEMBL13449676 0.90 SMN1; SMN2 (0.70) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
Medrysone SCHEMBL840781 0.90 CYP3A4 (0.93) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
Medrysone SCHEMBL29866793 0.89 CYP3A4 (1.00) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
Medrysone SCHEMBL3048275 0.89 CYP3A4 (1.00) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
Medrysone SCHEMBL4493 0.89 CYP3A4 (1.00) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
Medrysone SCHEMBL12998543 0.89 CYP3A4 (1.00) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9
Medrysone SCHEMBL13054978 0.89 CYP3A4 (1.00) SMN1; SMN2CYP3A4HIF1ALMNACYP2C9

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-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed