SCHEMBL8959704

SCHEMBL8959704

CCOC(=O)CCCn1cc(C(=O)CCCCc2ccc(CC(C)C)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
CREBBP Q92793 1/20 0.53
SRD5A1 P18405 5/20 0.50
SRD5A2 P31213 5/20 0.50
LMNA P02545 1/20 0.48
CNR2 P34972 6/20 0.48
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8959948 0.88 SRD5A1 (0.61) CNR1CREBBPSRD5A1SRD5A2CNR2
SCHEMBL8959720 0.87 CNR1 (0.51) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL8959708 0.87 CNR1 (0.51) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL8959893 0.86 CNR1 (0.50) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL8959531 0.86 CNR1 (0.50) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL8959655 0.84 SRD5A1 (0.49) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL8960034 0.84 CNR1 (0.64) CNR1CREBBPLMNACNR2POLB
SCHEMBL27303032 0.84 SRD5A1 (0.62) CNR1CREBBPSRD5A1SRD5A2LMNA
SCHEMBL9343621 0.84 CNR1 (0.61) CNR1CREBBPLMNACNR2POLB
SCHEMBL8959991 0.83 CNR1 (0.66) CNR1CREBBPLMNACNR2

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
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed