SCHEMBL8960034

SCHEMBL8960034

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.64
CREBBP Q92793 1/20 0.61
LMNA P02545 1/20 0.53
CNR2 P34972 10/20 0.49
TNF P01375 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.47
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

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
SCHEMBL8959942 0.90 CNR1 (0.71) CNR1CREBBPLMNACNR2TNF
SCHEMBL8959790 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959933 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959736 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959991 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959776 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959670 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959828 0.86 CNR1 (0.66) CNR1CREBBPLMNACNR2
SCHEMBL8959768 0.85 CNR1 (0.60) CNR1CREBBPLMNACNR2
SCHEMBL8959919 0.85 CREBBP (0.57) CREBBPCNR2ALDH1A1

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