SCHEMBL10404231

SCHEMBL10404231

CC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)C(C)(C)C[C@@H]32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.42
GPBAR1 Q8TDU6 7/20 0.41
CYP3A4 P08684 4/20 0.41
SHBG P04278 4/20 0.41
SERPINA6 P08185 3/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
CYP19A1 P11511 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.41
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
OSBP P22059 1/20 0.39
OSBP2 Q969R2 1/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL10402248 1.00 SRD5A2 (0.42) SRD5A2GPBAR1CYP3A4SHBGSERPINA6
SCHEMBL10404158 0.88 SRD5A2 (0.41) SRD5A2GPBAR1CYP3A4SHBGSERPINA6
SCHEMBL11043325 0.83 GPBAR1 (0.59) GPBAR1CYP3A4SHBGSERPINA6NR3C1
SCHEMBL11043329 0.83 GPBAR1 (0.59) GPBAR1CYP3A4SHBGSERPINA6NR3C1
SCHEMBL10404132 0.80 SRD5A2 (0.42) SRD5A2GPBAR1CYP3A4SHBGSERPINA6
SCHEMBL11042029 0.74 CYP19A1 (0.66) GPBAR1CYP3A4SHBGSERPINA6CYP19A1
SCHEMBL3988004 0.74 CYP19A1 (0.66) GPBAR1CYP3A4SHBGSERPINA6CYP19A1
SCHEMBL11126643 0.74 CYP19A1 (0.50) SRD5A2GPBAR1CYP3A4CYP19A1LMNA
SCHEMBL11042638 0.74 CYP19A1 (0.50) SRD5A2GPBAR1CYP3A4CYP19A1LMNA
SCHEMBL10402779 0.73 CYP19A1 (0.51) GPBAR1CYP3A4SHBGSERPINA6CYP19A1

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
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 US disclosed