SCHEMBL8052597

SCHEMBL8052597

COC12CC[C@]3(C)CCC[C@H]3[C@@H]1CCc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
SRD5A1 P18405 1/20 0.35
KDM1A O60341 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
STS P08842 1/20 0.33

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
SCHEMBL8052596 1.00 SHBG (0.36) SHBGSRD5A1KDM1AMEN1KMT2A
SCHEMBL8038167 0.78 SHBG (0.40) SHBGSRD5A1KDM1A
SCHEMBL8048190 0.78 SHBG (0.40) SHBGSRD5A1KDM1A
SCHEMBL8048188 0.78 SHBG (0.40) SHBGSRD5A1KDM1A
SCHEMBL7213772 0.67 SHBG (0.44) SHBGLMNASTS
SCHEMBL26237102 0.66 SRD5A1 (0.46) SRD5A1KDM1ALMNATDP1
SCHEMBL978478 0.64 SHBG (0.36) SHBGSTS
SCHEMBL7213776 0.63 SHBG (0.55) SHBGLMNASTS
SCHEMBL13725675 0.63 SHBG (0.70) SHBGMEN1KMT2ALMNASTS
SCHEMBL11096655 0.63 SHBG (0.70) SHBGMEN1KMT2ALMNASTS

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-0882735-B1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation JENAPHARM GMBH (DE) 2000-04-19 EP disclosed
EP-0882735-A1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation Jenapharm GmbH & Co. KG (DE) 1998-12-09 EP disclosed