SCHEMBL3974231

SCHEMBL3974231

CCCCc1cc(O)cc2c1[C@H]1CC[C@]3(C)CCC[C@H]3[C@@H]1CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.57
STS P08842 11/20 0.43
HSD17B1 P14061 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 2/20 0.39
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
ATM Q13315 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3974913 0.81 SHBG (0.60) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL7163758 0.81 SHBG (0.66) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL10439848 0.80 SHBG (0.65) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL8571107 0.75 SHBG (0.60) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL7864592 0.73 SHBG (1.00) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL712443 0.73 SHBG (1.00) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL29643366 0.73 SHBG (1.00) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL172746 0.73 SHBG (1.00) SHBGSTSHSD17B1LMNAMAPT
SCHEMBL27553583 0.73 ESR1 (0.67) SHBGSTSLMNAMAPTKMT2A
SCHEMBL9367031 0.73 SHBG (0.45) SHBGSTSHSD17B1LMNAMAPT

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