SCHEMBL3974914

SCHEMBL3974914

CCCCC[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 11/20 0.65
SHBG P04278 2/20 0.61
HSD17B1 P14061 1/20 0.55
ESR1 P03372 4/20 0.55
HSD17B10 Q99714 3/20 0.55
ESR2 Q92731 3/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC22A1 O15245 1/20 0.55
AKR1B10 O60218 1/20 0.55
SLC22A3 O75751 1/20 0.55
ABCB11 O95342 1/20 0.55
ESRRB O95718 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL2163618 0.88 SHBG (0.68) STSSHBGHSD17B1ESR1HSD17B10
SCHEMBL9242677 0.83 SHBG (0.58) STSSHBGHSD17B1ESR1HSD17B10
SCHEMBL31439058 0.80 STS (0.66) STSSHBGESR1HSD17B10ESR2
SCHEMBL8217813 0.79 STS (0.43) STSSHBGHSD17B1ESR1LMNA
SCHEMBL11858471 0.78 ESR2 (0.67) STSSHBGESR1HSD17B10ESR2
SCHEMBL10697240 0.77 STS (0.67) STSSHBGHSD17B1ESR1HSD17B10
SCHEMBL7864592 0.77 SHBG (1.00) STSSHBGHSD17B1ESR1HSD17B10
SCHEMBL172746 0.77 SHBG (1.00) STSSHBGHSD17B1ESR1HSD17B10
SCHEMBL712443 0.77 SHBG (1.00) STSSHBGHSD17B1ESR1HSD17B10
SCHEMBL29643366 0.77 SHBG (1.00) STSSHBGHSD17B1ESR1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773349-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP disclosed
EP-1773349-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-04-18 EP disclosed
WO-2005110462-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2005-11-24 WO disclosed