Sugi Predict

Sugi Predict / Compounds / SCHEMBL8019117

SCHEMBL8019117

SCHEMBL8019117

CCC[C@H]1C[C@H]2NC(=O)C(c3cc(OC)c(OC)c(OC)c3)=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)O)CC[C@H]3[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 10/20 0.38
▸ SRD5A2 P31213 5/20 0.38
▸ NEK2 P51955 2/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ AR P10275 2/20 0.31

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
SCHEMBL8016876 0.82 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8020280 0.74 SRD5A1 (0.38) SRD5A1SRD5A2AR
SCHEMBL8019120 0.69 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8021048 0.68 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8023774 0.68 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8021081 0.65 MBOAT4 (0.44) SRD5A1
SCHEMBL8017214 0.65 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8006557 0.64 SRD5A1 (0.44) SRD5A1SRD5A2AR
SCHEMBL8006812 0.63 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8016888 0.63 SRD5A1 (0.60) 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