SCHEMBL8764818

SCHEMBL8764818

COC(=O)[C@H]1CC[C@H]2[C@H](CCN)[C@@H]([C@@]3(C)CCC(=O)C=C3OC)CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.53
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
SERPINA6 P08185 3/20 0.43
ABCB11 O95342 2/20 0.43
SHBG P04278 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL8764823 1.00 SRD5A2 (0.53) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8764208 0.86 SRD5A2 (0.49) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8764199 0.86 SRD5A2 (0.49) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765019 0.85 SRD5A2 (0.52) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765020 0.85 SRD5A2 (0.52) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765548 0.85 SRD5A2 (0.48) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765555 0.85 SRD5A2 (0.48) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL7614985 0.72 PSEN1 (0.80) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL7614986 0.72 PSEN1 (0.80) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL5907025 0.72 PSEN1 (0.80) SRD5A2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785943-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
US-5541322-A Synthesis of 6-azaandrostenones GLAXO WELLCOME INC. (US) 1996-07-30 US disclosed
WO-1996011939-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed