SCHEMBL9799029

SCHEMBL9799029

CCOC(=O)Cc1ccc(OCCCN)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.47
DPP4 P27487 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14242912 0.90 FDPS (0.51) FDPSL3MBTL1DRD2ALDH1A1ABL1
SCHEMBL7442904 0.88 FDPS (0.50) FDPSL3MBTL1DRD2ALDH1A1ABL1
SCHEMBL14336130 0.88 HSD17B10 (0.55) FDPSL3MBTL1DRD2ALDH1A1ABL1
SCHEMBL9306342 0.87 S1PR2 (0.53) FDPS
SCHEMBL4189413 0.87 FDPS (0.54) FDPSL3MBTL1DRD2ALDH1A1ABL1
SCHEMBL3782064 0.86 LMNA (0.55) FDPSDRD2ALDH1A1ABL1RIN1
SCHEMBL908271 0.85 ABL1 (0.59) L3MBTL1DRD2ALDH1A1ABL1RIN1
SCHEMBL14331177 0.82 KDM4E (0.55) FDPSALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4842427 0.81 PTGER3 (0.52) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL14262533 0.80 L3MBTL1 (0.54) L3MBTL1ALDH1A1ABL1RIN1MAPT

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-5061720-A ANTIINFLAMMATORY AGENTS FOR TOPICAL APPLICATION TO SKIN A. H. ROBINS COMPANY, INC. (US) 1991-10-29 US disclosed