SCHEMBL625669

SCHEMBL625669

CC1(C)NC(=O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 11/20 0.81
HSD11B1 P28845 11/20 0.75
MAPT P10636 3/20 0.75
POLB P06746 1/20 0.75
APEX1 P27695 1/20 0.75
PTPN1 P18031 4/20 0.70
CES2 O00748 3/20 0.70
CES1 P23141 3/20 0.70
CYP3A4 P08684 2/20 0.70
MEN1 O00255 1/20 0.70
AKR1B10 O60218 1/20 0.70
LMNA P02545 1/20 0.70
ALOX5 P09917 1/20 0.70
PRKCH P24723 1/20 0.70
PTPN6 P29350 1/20 0.70
KMT2A Q03164 1/20 0.70
PTPN11 Q06124 1/20 0.70
SLCO1B3 Q9NPD5 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70
TSHR P16473 1/20 0.70

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
SCHEMBL11186600 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL1721438 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL420853 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL18348593 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL11186596 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL13056500 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL420854 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL1721435 0.86 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL25367147 0.85 HSD11B2 (0.84) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL3469345 0.83 HSD11B1 (0.75) HSD11B2HSD11B1MAPTPOLBAPEX1

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-2627327-A1 NOVEL TRITERPENE DERIVATIVES onepharm Research & Development GmbH (AT) 2013-08-21 EP disclosed
WO-2012020019-A1 NOVEL TRITERPENE DERIVATIVES ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2012-02-16 WO disclosed