SCHEMBL13770653

SCHEMBL13770653

CCC1C2C(C)CC3=CC(=O)CCC3C2CCC1(CC)CCCCOC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.48
▸ PGR P06401 14/20 0.46
▸ NR3C2 P08235 4/20 0.46
▸ SHBG P04278 2/20 0.38
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SLC22A1 O15245 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SERPINA6 P08185 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL13770481 0.82 AR (0.41) ARPGRNR3C2
SCHEMBL13770460 0.77 AR (0.49) ARPGRNR3C2SHBGLMNA
SCHEMBL13797568 0.77 AR (0.48) ARPGRNR3C2LMNAMAPT
SCHEMBL13770129 0.77 AR (0.46) ARPGRNR3C2
SCHEMBL13474804 0.72 AR (0.54) ARPGRNR3C2SHBG
SCHEMBL13770128 0.71 AR (0.46) ARPGRNR3C2SHBGLMNA
SCHEMBL6693185 0.69 AR (0.71) ARPGRNR3C2SHBGLMNA
SCHEMBL11865080 0.69 AR (0.71) ARPGRNR3C2SHBGLMNA
SCHEMBL11857527 0.69 AR (0.71) ARPGRNR3C2SHBGLMNA
SCHEMBL13770472 0.68 SHBG (0.47) ARPGRNR3C2SHBGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083268-A2 17-(1'-PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
Send feedback