SCHEMBL13770167

SCHEMBL13770167

CCC12CCC3C4CCC(=N)C=C4CCC3C1CC[C@]2(C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.55
▸ SLC6A4 P31645 6/20 0.55
▸ LMNA P02545 5/20 0.55
▸ AR P10275 5/20 0.55
▸ ESR1 P03372 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ SHBG P04278 4/20 0.55
▸ NR3C1 P04150 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ ABCB11 O95342 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ NR1I2 O75469 2/20 0.53
▸ NR3C2 P08235 1/20 0.49
▸ SLC6A2 P23975 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46

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
SCHEMBL25868093 0.86 PGR (0.73) PGRSLC6A4LMNAARESR1
SCHEMBL25867708 0.86 PGR (0.73) PGRSLC6A4LMNAARESR1
SCHEMBL11861988 0.86 PGR (0.73) PGRSLC6A4LMNAARESR1
SCHEMBL14255119 0.84 PGR (0.77) PGRSLC6A4LMNAARESR1
SCHEMBL22382702 0.84 NR1I2 (0.74) PGRSLC6A4LMNAARESR1
SCHEMBL13062175 0.79 PGR (0.50) PGRSLC6A4LMNAARESR1
SCHEMBL16715966 0.78 AR (0.80) PGRSLC6A4LMNAARESR1
SCHEMBL11861950 0.77 CYP3A4 (0.64) PGRSLC6A4LMNAARESR1
SCHEMBL12923998 0.77 PGR (0.82) PGRSLC6A4LMNAARESR1
Norbolethone SCHEMBL548124 0.74 PGR (0.73) PGRSLC6A4LMNAARESR1

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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