SCHEMBL7515670

SCHEMBL7515670

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.38
POLA1 P09884 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ESR1 P03372 1/20 0.35
OPRK1 P41145 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B1 P14061 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7511559 0.86 SRD5A2 (0.43) ESR1
SCHEMBL7515992 0.85 PPARD (0.38) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL7515996 0.85 NR1H2 (0.34) LMNA
SCHEMBL7547080 0.85 PPARD (0.37) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL7548147 0.85 PPARD (0.37) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL8048886 0.84 PPARD (0.42) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL8049873 0.84 PPARD (0.42) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL8048882 0.84 PPARD (0.42) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL8049867 0.84 PPARD (0.42) PPARDPOLA1MTNR1AMTNR1BESR1
SCHEMBL8052780 0.77 PPARD (0.41) PPARDPOLA1MTNR1AMTNR1BESR1

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 4 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 claimed
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 claimed
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