SCHEMBL6244374

SCHEMBL6244374

C[C@@H]1C=C2CC(=O)C(O)C[C@]2(C)[C@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.40
CYP19A1 P11511 11/20 0.36
MBOAT4 Q96T53 1/20 0.32

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
SCHEMBL11621779 0.78 SHBG (0.65) SHBG
SCHEMBL11621787 0.78 SHBG (0.65) SHBG
SCHEMBL6244368 0.75 SHBG (0.37) SHBGCYP19A1MBOAT4
SCHEMBL8331556 0.70 SRD5A1 (0.54) SHBGCYP19A1MBOAT4
SCHEMBL13047225 0.70
SCHEMBL11432636 0.70 CYP19A1 (0.37) SHBGCYP19A1MBOAT4
SCHEMBL11432633 0.70 CYP19A1 (0.37) SHBGCYP19A1MBOAT4
SCHEMBL9068479 0.70 SHBG (0.46) SHBGCYP19A1
SCHEMBL9068480 0.70 SHBG (0.46) SHBGCYP19A1
SCHEMBL4318904 0.69 SHBG (0.38) SHBGCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549292-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION Schering Aktiengesellschaft (DE) 2005-07-06 EP claimed
WO-2004032897-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-22 WO claimed
EP-1549292-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION Schering Aktiengesellschaft (DE) 2005-07-06 EP disclosed
WO-2004032897-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-22 WO disclosed