SCHEMBL13770191

SCHEMBL13770191

CCCC1C2CC3(CC3)C3=CC(=O)CCC3C2CCC1(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.50
▸ AR P10275 7/20 0.50
▸ CYP19A1 P11511 6/20 0.38
▸ SHBG P04278 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SERPINA6 P08185 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ OPRM1 P35372 1/20 0.35

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
SCHEMBL13770350 0.82 CYP19A1 (0.54) PGRARCYP19A1SHBGSLC22A1
SCHEMBL13769152 0.80 PGR (0.48) PGRARCYP19A1SHBGLMNA
SCHEMBL13769023 0.78 PGR (0.43) PGRARCYP19A1SHBGSLC22A1
SCHEMBL13474804 0.73 AR (0.54) PGRARCYP19A1SHBGNR3C2
SCHEMBL13770301 0.73 AR (0.50) PGRARCYP19A1NR3C2
SCHEMBL13770470 0.72 CYP19A1 (0.56) PGRARCYP19A1SHBGSLC22A1
SCHEMBL13770298 0.72 AR (0.52) PGRARCYP19A1NR3C2
SCHEMBL4208485 0.71 PGR (0.62) PGRARSHBGALDH1A1LMNA
SCHEMBL13797698 0.70 PGR (0.45) PGRARCYP19A1SHBGSLC22A1
SCHEMBL13334773 0.70 AR (0.54) PGRARCYP19A1SHBGSLC22A1

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-2009083267-A2 STEROID-17,17-LACTOL DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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