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SCHEMBL8019120

SCHEMBL8019120

CCCC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CCC3(C(=O)O)c3cc(OC)c(OC)c(OC)c3)[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 12/20 0.36
▸ SRD5A2 P31213 7/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL8007040 0.81 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8017183 0.81 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8019143 0.80 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL8017219 0.80 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8020281 0.74 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL8021051 0.71 SRD5A2 (0.42) SRD5A1SRD5A2
SCHEMBL8023777 0.69 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8019117 0.69 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL8006823 0.69 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8006558 0.68 SRD5A2 (0.46) SRD5A1SRD5A2

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-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 — — EP disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 — — US disclosed