SCHEMBL8960027

SCHEMBL8960027

CCOC(=O)CCCn1cc(C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.66
CREBBP Q92793 2/20 0.63
LMNA P02545 1/20 0.57
CNR2 P34972 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
TNF P01375 2/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
NR4A2 P43354 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8959912 0.90 CNR1 (0.62) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL8959906 0.87 CNR2 (0.57) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL8959817 0.87 CNR1 (0.72) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL9336481 0.84 CNR1 (0.62) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL8959942 0.84 CNR1 (0.71) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL9289681 0.83 CNR1 (0.54) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL28840703 0.83 CNR1 (0.69) CNR1CREBBPLMNAL3MBTL1POLB
SCHEMBL9543114 0.82 CNR1 (0.55) CNR1CREBBPLMNACNR2L3MBTL1
SCHEMBL9539526 0.82 CNR1 (0.55) CNR1CREBBPLMNACNR2ALDH1A1
SCHEMBL7853735 0.81 CNR1 (0.70) CNR1CREBBPLMNACNR2L3MBTL1

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