SCHEMBL2010128

SCHEMBL2010128

C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)CCO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.53
G6PD P11413 3/20 0.48
SERPINA6 P08185 2/20 0.46
EIF4A3 P38919 1/20 0.46
EIF4A1 P60842 1/20 0.46
EIF4A2 Q14240 1/20 0.46
LMNA P02545 3/20 0.44
GPBAR1 Q8TDU6 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4887284 0.85 SHBG (0.54) SHBGG6PDSERPINA6EIF4A3EIF4A1
SCHEMBL16431616 0.83 G6PD (0.64) SHBGG6PDSERPINA6LMNAGPBAR1
SCHEMBL19330943 0.83 G6PD (0.64) SHBGG6PDSERPINA6LMNAGPBAR1
SCHEMBL598321 0.83 G6PD (0.64) SHBGG6PDSERPINA6LMNAGPBAR1
SCHEMBL598190 0.83 G6PD (0.64) SHBGG6PDSERPINA6LMNAGPBAR1
SCHEMBL4670021 0.83 SERPINA6 (0.51) SHBGG6PDSERPINA6EIF4A3EIF4A1
SCHEMBL4670022 0.83 SERPINA6 (0.51) SHBGG6PDSERPINA6EIF4A3EIF4A1
SCHEMBL5609666 0.80 G6PD (0.72) SHBGG6PDSERPINA6GPBAR1CYP1A2
SCHEMBL20980001 0.80 G6PD (0.47) SHBGG6PDSERPINA6EIF4A3EIF4A1
SCHEMBL21328342 0.80 G6PD (0.72) SHBGG6PDSERPINA6GPBAR1CYP1A2

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-2011075701-A2 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-7960367-B2 Pregnane steroids and their use in the treatment of CNS disorders UMECRINE AB (SE) 2011-06-14 US disclosed