SCHEMBL7054352

SCHEMBL7054352

CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.72
HSD17B10 Q99714 2/20 0.72
ESR1 P03372 4/20 0.65
MAPT P10636 4/20 0.61
HSD17B1 P14061 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RECQL P46063 1/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
THRB P10828 1/20 0.56
PGR P06401 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HIF1A Q16665 1/20 0.56
ABCC1 P33527 1/20 0.56
NR3C1 P04150 1/20 0.56
CNR1 P21554 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL4995702 1.00 LMNA (0.72) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL15308955 1.00 LMNA (0.72) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL7054356 1.00 LMNA (0.72) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL6462167 0.90 LMNA (0.74) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL6468136 0.90 LMNA (0.74) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL7612623 0.89 LMNA (0.70) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL7076832 0.87 LMNA (0.67) LMNAHSD17B10ESR1MAPTHSD17B1
Potassium Ion SCHEMBL5265400 0.86 KDM4E (0.72) LMNAHSD17B10ESR1MAPTSMN1; SMN2
Potassium Ion SCHEMBL5265396 0.86 KDM4E (0.72) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL9747178 0.86 ESR1 (0.76) LMNAHSD17B10ESR1MAPTSMN1; SMN2

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
EP-0830369-B1 NOR-PREGNANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN PHARM INC (US) 2003-05-14 EP disclosed
US-5962443-A 19-nur-pregnane steroids as neurochemical initiators of change in human hypothalamic function PHERIN CORPORATION (US) 1999-10-05 US disclosed