SCHEMBL7519698

SCHEMBL7519698

C=C1CC[C@@]2(C)C[C@@H](O)[C@]3(O)c4ccc(OC)cc4CC[C@@H]3[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.39
HSD17B1 P14061 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.38
ESR1 P03372 2/20 0.38
STS P08842 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7548184 0.77 ESR1 (0.44) LMNAHSD17B10KDM1AMAPTHSD17B1
SCHEMBL7548147 0.76 PPARD (0.37) LMNAHSD17B10MAPTHSD17B1RECQL
SCHEMBL7547080 0.76 PPARD (0.37) LMNAHSD17B10MAPTHSD17B1RECQL
SCHEMBL21137452 0.73 LMNA (0.39) LMNAHSD17B10KDM1AMAPTHSD17B1
SCHEMBL7519471 0.71 CYP19A1 (0.39) LMNAHSD17B10KDM1AMAPTHSD17B1
SCHEMBL7515992 0.71 PPARD (0.38) LMNAHSD17B10MAPTHSD17B1RECQL
SCHEMBL8048890 0.69 LMNA (0.56) LMNAHSD17B10KDM1AMAPTHSD17B1
SCHEMBL8048425 0.69 LMNA (0.56) LMNAHSD17B10KDM1AMAPTHSD17B1
SCHEMBL11671496 0.67 STS (0.60) LMNAHSD17B10MAPTHSD17B1RECQL
SCHEMBL11222251 0.67 STS (0.60) LMNAHSD17B10MAPTHSD17B1RECQL

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-1165596-A1 14,15-.ALPHA.-METHYLENE EQUILENINE DERIVATIVES, METHODS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM Jenapharm GmbH & Co. KG (DE) 2002-01-02 EP disclosed
WO-2000059922-A1 14,15-.ALPHA.-METHYLENE EQUILENINE DERIVATIVES, METHODS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM JENAPHARM GMBH & CO. KG (DE) 2000-10-12 WO disclosed