SCHEMBL11645080

SCHEMBL11645080

C=C1C(=C)[C@@H]2[C@@H](CC[C@@]3(C)[C@H]2CCC3(O)CCCC(C)=O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.46
▸ NR3C1 P04150 6/20 0.46
▸ PGR P06401 5/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ AR P10275 4/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ HIF1A Q16665 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SHBG P04278 2/20 0.39
▸ SERPINA6 P08185 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL5978543 0.89 PGR (0.44) LMNANR3C1PGRTDP1PDE4D
SCHEMBL6707126 0.88 LMNA (0.50) LMNANR3C1PGRTDP1PDE4D
SCHEMBL11645078 0.75 PGR (0.51) LMNANR3C1PGRTDP1PDE4D
SCHEMBL11642052 0.75 LMNA (0.46) LMNANR3C1PGRTDP1PDE4D
SCHEMBL11647496 0.73 CYP17A1 (0.48) LMNANR3C1PGRTDP1PDE4D
SCHEMBL11647501 0.73 CYP17A1 (0.48) LMNANR3C1PGRTDP1PDE4D
SCHEMBL10945226 0.72 TDP1 (0.40) LMNANR3C1PGRTDP1PDE4D
SCHEMBL6703978 0.71 CYP17A1 (0.46) LMNANR3C1PGRTDP1PDE4D
SCHEMBL6703976 0.71 CYP17A1 (0.46) LMNANR3C1PGRTDP1PDE4D
SCHEMBL11596318 0.70 TDP1 (0.49) LMNANR3C1PGRTDP1PDE4D

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
US-4118488-A 4-Androsten-3-ones and process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US claimed
US-4118488-A 4-Androsten-3-ones and process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
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