SCHEMBL8959772

SCHEMBL8959772

CCCCCCCCCOC(=O)c1cn(CCCC(=O)O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.60
CNR2 P34972 8/20 0.57
CDC25A P30304 1/20 0.56
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
CREBBP Q92793 1/20 0.54
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8959906 0.88 CNR2 (0.57) CNR1CNR2TSHRALDH1A1LMNA
SCHEMBL8959968 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL8959732 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL8959987 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL8959748 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL8959985 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL8959839 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL9247864 0.85 CNR2 (0.67) CNR1CNR2CDC25ACREBBP
SCHEMBL286791 0.83 CNR2 (0.72) CNR1CNR2CDC25A
SCHEMBL9543327 0.83 CNR2 (0.66) CNR1CNR2TSHRALDH1A1SMN1; SMN2

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