SCHEMBL7548147

SCHEMBL7548147

C=C1C[C@@H](CC(=O)O)[C@@]2(C)C[C@@H](O)[C@]3(O)c4ccc(OC)cc4CC[C@@H]3[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
OPRK1 P41145 2/20 0.35
POLA1 P09884 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 2/20 0.34
OPRM1 P35372 1/20 0.34
CYP19A1 P11511 1/20 0.33
ESR1 P03372 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A9 P48067 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.32
HSD17B1 P14061 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7547080 1.00 PPARD (0.37) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL7515992 0.94 PPARD (0.38) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL7515670 0.85 PPARD (0.38) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL7548184 0.83 ESR1 (0.44) LMNAHSD17B10MTNR1AMTNR1BPOLA1
SCHEMBL7519698 0.76 LMNA (0.41) LMNAHSD17B10POLA1CYP19A1ESR1
SCHEMBL8049873 0.72 PPARD (0.42) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL8048886 0.72 PPARD (0.42) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL8049867 0.72 PPARD (0.42) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL8048882 0.72 PPARD (0.42) PPARDLMNAHSD17B10MTNR1AMTNR1B
SCHEMBL7511559 0.71 SRD5A2 (0.43) ESR1

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-B1 14,15-ALPHA-METHYLENE EQUILENINE DERIVATIVES, METHODS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM JENAPHARM GMBH (DE) 2002-06-19 EP claimed
EP-1165596-B1 14,15-ALPHA-METHYLENE EQUILENINE DERIVATIVES, METHODS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM JENAPHARM GMBH (DE) 2002-06-19 EP disclosed