SCHEMBL4390839

SCHEMBL4390839

COc1ccc2c3c(c(=O)oc2c1OC)CCCC3

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.78
HPGD P15428 6/20 0.78
MAOB P27338 4/20 0.72
MAOA P21397 5/20 0.71
MIF P14174 1/20 0.71
KDM4E B2RXH2 8/20 0.70
HSD17B10 Q99714 6/20 0.70
TSHR P16473 5/20 0.70
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
FHIT P49789 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.62
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
PLA2G1B P04054 1/20 0.59
POLB P06746 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
GBA1 P04062 1/20 0.58
DRD2 P14416 1/20 0.58

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
SCHEMBL4397355 0.84 MAOB (0.67) ALDH1A1HPGDMAOBMAOAMIF
SCHEMBL4562737 0.83 ALDH1A1 (0.73) ALDH1A1HPGDMAOBMAOAMIF
SCHEMBL11175285 0.82 ALDH1A1 (0.56) ALDH1A1HPGDMAOBMAOAMIF
Hydrochloric Acid SCHEMBL10814505 0.81 ALDH1A1 (0.55) ALDH1A1HPGDMAOBMAOAMIF
SCHEMBL11759681 0.78 DRD4 (0.70) ALDH1A1HPGDMAOBMAOAMIF
SCHEMBL11380048 0.75 DRD4 (0.66) ALDH1A1HPGDMAOBMAOAMIF
SCHEMBL10815751 0.75 DRD4 (0.70) ALDH1A1HPGDMAOBMAOAMIF
SCHEMBL8583590 0.74 DRD4 (1.00) ALDH1A1HPGDMIFKDM4EHTT
SCHEMBL9367289 0.74 ALDH1A1 (0.67) ALDH1A1HPGDMAOBMAOAKDM4E
SCHEMBL4711135 0.73 HSD17B10 (0.58) ALDH1A1HPGDMAOBMAOAMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed