SCHEMBL8679334

SCHEMBL8679334

CCCOC1CC2N(OCCC)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.33
SRD5A2 P31213 5/20 0.33
HSD17B7 P56937 1/20 0.30
CYP19A1 P11511 2/20 0.30

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
SCHEMBL8679325 0.92 SRD5A1 (0.34) SRD5A1SRD5A2HSD17B7CYP19A1
SCHEMBL8682901 0.88 SRD5A1 (0.35) SRD5A1SRD5A2CYP19A1
SCHEMBL8606544 0.87 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL9110002 0.80 HSD17B7 (0.44) SRD5A1SRD5A2HSD17B7
SCHEMBL8679097 0.77 SRD5A1 (0.32) SRD5A1SRD5A2
SCHEMBL8996738 0.76 SRD5A1 (0.46) SRD5A1SRD5A2HSD17B7
SCHEMBL8679332 0.74 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL8583935 0.74 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8682897 0.72 SRD5A1 (0.42) SRD5A1SRD5A2HSD17B7
SCHEMBL8523198 0.72 SRD5A1 (0.34) SRD5A1SRD5A2HSD17B7CYP19A1

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
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed