SCHEMBL4670022

SCHEMBL4670022

CC1(O)CC[C@H]2[C@@H]3CCC4CC(O)CC[C@]4(C)[C@@H]3C(O)C[C@@]21C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINA6 P08185 2/20 0.51
LMNA P02545 2/20 0.50
GPBAR1 Q8TDU6 2/20 0.50
SHBG P04278 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EIF4A3 P38919 1/20 0.50
EIF4A1 P60842 1/20 0.50
EIF4A2 Q14240 1/20 0.50
G6PD P11413 1/20 0.48
NR1I3 Q14994 1/20 0.47

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
SCHEMBL4670021 1.00 SERPINA6 (0.51) SERPINA6LMNAGPBAR1SHBGCYP1A2
SCHEMBL2010128 0.83 SHBG (0.53) SERPINA6LMNAGPBAR1SHBGCYP1A2
SCHEMBL5856182 0.83 SHBG (0.44) SERPINA6LMNAGPBAR1SHBGCYP3A4
SCHEMBL5856187 0.83 SHBG (0.44) SERPINA6LMNAGPBAR1SHBGCYP3A4
SCHEMBL5609666 0.81 G6PD (0.72) SERPINA6GPBAR1SHBGCYP1A2CYP3A4
SCHEMBL20980001 0.81 G6PD (0.47) SERPINA6LMNAGPBAR1SHBGCYP1A2
SCHEMBL2510061 0.81 G6PD (0.72) SERPINA6GPBAR1SHBGCYP1A2CYP3A4
SCHEMBL21328342 0.81 G6PD (0.72) SERPINA6GPBAR1SHBGCYP1A2CYP3A4
SCHEMBL21973841 0.81 G6PD (0.72) SERPINA6GPBAR1SHBGCYP1A2CYP3A4
SCHEMBL16226435 0.81 G6PD (0.47) SERPINA6LMNAGPBAR1SHBGCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223941-B1 THERAPEUTIC TREATMENTS FOR BLOOD CELL DEFICIENCIES USING SREROIDS HOLLIS EDEN PHARMACEUTICALS (US) 2008-11-05 EP disclosed