SCHEMBL4637290

SCHEMBL4637290

COc1ccc(C=O)c(OC2CCc3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.42
FFAR1 O14842 3/20 0.42
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD1 P21728 1/20 0.41
IDO1 P14902 2/20 0.41
TSHR P16473 1/20 0.41
GID4 Q8IVV7 1/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
HPGDS O60760 1/20 0.40
CYP1A1 P04798 1/20 0.39

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
SCHEMBL4637330 0.78 FFAR1 (0.43) ATMKMT2AFFAR1DRD1IDO1
SCHEMBL4637286 0.77 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAIDO1TSHR
SCHEMBL7425981 0.75 KMT2A (0.47) ATMKMT2AFFAR1DRD1IDO1
SCHEMBL3546305 0.74 MTNR1A (0.55) ALDH1A1ATMKMT2ACYP1A2LMNA
SCHEMBL7418526 0.73 ALDH1A1 (0.63) ALDH1A1POLBKMT2ACYP1A2LMNA
SCHEMBL96291 0.70 ALDH1A1 (1.00) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2554401 0.70 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKMT2ACYP1A2
SCHEMBL10469818 0.69 MTNR1A (0.49)
Hydrochloric Acid SCHEMBL9456784 0.69 ALDH1A1 (0.96) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL21142124 0.68 IDO1 (0.54) FFAR1IDO1GID4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
EP-0874819-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-11-04 EP disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed
WO-1997023457-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1997-07-03 WO disclosed