SCHEMBL28290732

SCHEMBL28290732

C[C@]12CC[C@H]3[C@@H](CCC4C(C(=O)C5C(=O)CC[C@@]6(C)C5CC[C@H]5[C@@H]7CC[C@H](O)[C@@]7(C)CC[C@@H]56)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.60
SHBG P04278 5/20 0.60
CYP3A4 P08684 3/20 0.60
HSD17B10 Q99714 3/20 0.60
NR3C1 P04150 2/20 0.60
PGR P06401 2/20 0.60
SERPINA6 P08185 2/20 0.60
AR P10275 2/20 0.60
GPBAR1 Q8TDU6 2/20 0.60
NR3C2 P08235 1/20 0.60
MGAM O43451 1/20 0.60
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
OR51E2 Q9H255 1/20 0.50
CYP1A2 P05177 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
SCHEMBL11232039 0.84 CYP19A1 (0.61) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL10273585 0.84 CYP19A1 (0.61) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL3652868 0.83 CYP19A1 (0.60) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL28405081 0.83 CYP19A1 (0.60) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL3652870 0.83 CYP19A1 (0.60) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL11235256 0.83 CYP19A1 (0.51) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL11235253 0.83 CYP19A1 (0.51) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL10963190 0.83 CYP19A1 (0.72) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL3660082 0.81 CYP19A1 (0.57) CYP19A1SHBGCYP3A4HSD17B10NR3C1
SCHEMBL3660084 0.81 CYP19A1 (0.57) CYP19A1SHBGCYP3A4HSD17B10NR3C1

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
CN-103619403-B Viscous liquid is coated to the applicator systems of application on human skin 辉凌公司 2019-04-19 CN claimed