SCHEMBL6876271

SCHEMBL6876271

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.70
RIN1 Q13671 1/20 0.70
SHBG P04278 4/20 0.59
GPBAR1 Q8TDU6 3/20 0.59
LMNA P02545 2/20 0.59
SERPINA6 P08185 2/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC10A2 Q12908 1/20 0.53
SLC10A1 Q14973 1/20 0.53
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
NR3C2 P08235 1/20 0.50
AR P10275 1/20 0.50
CYP19A1 P11511 1/20 0.50
MGAM O43451 1/20 0.50

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
SCHEMBL6448971 1.00 ABL1 (0.70) ABL1RIN1SHBGGPBAR1LMNA
SCHEMBL6881931 1.00 ABL1 (0.70) ABL1RIN1SHBGGPBAR1LMNA
SCHEMBL1115613 1.00 ABL1 (0.70) ABL1RIN1SHBGGPBAR1LMNA
SCHEMBL1115615 1.00 ABL1 (0.70) ABL1RIN1SHBGGPBAR1LMNA
SCHEMBL5445469 1.00 ABL1 (0.70) ABL1RIN1SHBGGPBAR1LMNA
SCHEMBL18508098 0.84 ABL1 (0.65) ABL1RIN1GPBAR1LMNACYP3A4
SCHEMBL17303242 0.84 ABL1 (0.65) ABL1RIN1GPBAR1LMNACYP3A4
SCHEMBL19302477 0.84 ABL1 (0.65) ABL1RIN1GPBAR1LMNACYP3A4
SCHEMBL9939124 0.83 CYP19A1 (0.53) ABL1RIN1SHBGGPBAR1SERPINA6
SCHEMBL7192083 0.83 G6PD (0.67) ABL1RIN1SHBGGPBAR1LMNA

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-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 EP claimed