SCHEMBL10477563

SCHEMBL10477563

CC[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CC[C@@]2(O)C#CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.41
▸ AR P10275 9/20 0.41
▸ SLC6A4 P31645 5/20 0.41
▸ ESR1 P03372 4/20 0.41
▸ SHBG P04278 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NR3C1 P04150 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ NR1I2 O75469 3/20 0.40
▸ NR3C2 P08235 4/20 0.35
▸ SLC6A2 P23975 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ AGTR1 P30556 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33

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
SCHEMBL10477545 0.81 PGR (0.35) PGRARSLC6A4ESR1SHBG
SCHEMBL5925274 0.76 CYP3A4 (0.55) PGRARSLC6A4ESR1SHBG
SCHEMBL10477541 0.76 LMNA (0.43) PGRARSLC6A4ESR1SHBG
SCHEMBL20851724 0.74 SHBG (0.41) PGRARSLC6A4ESR1SHBG
SCHEMBL20851723 0.74 SHBG (0.41) PGRARSLC6A4ESR1SHBG
SCHEMBL11864782 0.74 PGR (0.45) PGRARSLC6A4ESR1SHBG
SCHEMBL11864787 0.74 PGR (0.45) PGRARSLC6A4ESR1SHBG
SCHEMBL11859434 0.73 SLC6A4 (0.58) PGRARSLC6A4ESR1SHBG
SCHEMBL5925294 0.73 SHBG (0.42) ARESR1SHBGPOLBALDH1A1
SCHEMBL2820028 0.72 PGR (0.33) PGRARSLC6A4ESR1LMNA

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-4885117-A Process for the preparation of (Z)-17α-halovinyl steroids SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-05 — — US disclosed
Send feedback