SCHEMBL3469346

SCHEMBL3469346

CC1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCCC(C)(C)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.75
HSD11B2 P80365 10/20 0.75
PTPN1 P18031 4/20 0.75
CES2 O00748 4/20 0.75
CES1 P23141 4/20 0.75
MAPT P10636 3/20 0.75
CYP3A4 P08684 2/20 0.75
MEN1 O00255 1/20 0.75
AKR1B10 O60218 1/20 0.75
LMNA P02545 1/20 0.75
ALOX5 P09917 1/20 0.75
PRKCH P24723 1/20 0.75
PTPN6 P29350 1/20 0.75
KMT2A Q03164 1/20 0.75
PTPN11 Q06124 1/20 0.75
SLCO1B3 Q9NPD5 1/20 0.75
SLCO1B1 Q9Y6L6 1/20 0.75
TSHR P16473 1/20 0.75
POLB P06746 1/20 0.75
APEX1 P27695 1/20 0.75

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
SCHEMBL3469345 1.00 HSD11B1 (0.75) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL23747120 0.91 CES2 (0.75) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL22324319 0.91 HSD11B1 (0.73) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL21352622 0.91 CES2 (0.75) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL1721845 0.91 CES2 (0.75) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL1721221 0.90 HSD11B1 (0.76) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL1722126 0.90 HSD11B1 (0.65) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL1721856 0.88 HSD11B1 (0.63) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL13056383 0.88 HSD11B1 (0.56) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL11789935 0.88 HSD11B2 (0.59) HSD11B1HSD11B2PTPN1CES2CES1

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
WO-2010139692-A2 ANTIVIRAL TRITERPENE DERIVATIVES SAVIRA PHARMACEUTICALS GMBH (AT) 2010-12-09 WO claimed
WO-2010139692-A2 ANTIVIRAL TRITERPENE DERIVATIVES SAVIRA PHARMACEUTICALS GMBH (AT) 2010-12-09 WO disclosed