SCHEMBL9619030

SCHEMBL9619030

C=C(I)[C@]1(O)[C@H]2C[C@H]2[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.56
▸ AR P10275 6/20 0.56
▸ LMNA P02545 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ ESR1 P03372 3/20 0.56
▸ SHBG P04278 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ OPRM1 P35372 2/20 0.52
▸ NR3C2 P08235 1/20 0.50
▸ SLC22A1 O15245 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SERPINA6 P08185 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP19A1 P11511 2/20 0.45

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
SCHEMBL9619084 1.00 PGR (0.56) PGRARLMNASLC6A4ESR1
SCHEMBL11864369 0.87 PGR (0.60) PGRARLMNASLC6A4ESR1
SCHEMBL13556641 0.85 PGR (0.60) PGRARLMNASLC6A4ESR1
SCHEMBL11859601 0.83 PGR (0.56) PGRARLMNASLC6A4ESR1
SCHEMBL9619074 0.82 PGR (0.55) PGRARLMNASLC6A4ESR1
SCHEMBL9619018 0.82 PGR (0.55) PGRARLMNASLC6A4ESR1
SCHEMBL9619112 0.82 PGR (0.55) PGRARLMNASLC6A4ESR1
SCHEMBL9619015 0.82 PGR (0.55) PGRARLMNASLC6A4ESR1
SCHEMBL9619143 0.82 PGR (0.55) PGRARLMNASLC6A4ESR1
SCHEMBL11865482 0.81 PGR (0.67) PGRARLMNASLC6A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137434-B1 ESTRANE AND ANDROSTANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 — — EP claimed
US-4945064-A Estrane and androstane derivatives, process for producing them and preparations containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 — — US claimed
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