SCHEMBL9838175

SCHEMBL9838175

C=CC(=O)OC(CC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNF P01375 5/20 0.39
GAA P10253 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2033573 0.81 LMNA (0.46) LMNAALDH1A1GAATP53POLB
SCHEMBL9839690 0.80 ALDH1A1 (0.43) LMNAALDH1A1NPSR1TNFGAA
SCHEMBL7343985 0.77 TNF (0.43) LMNAALDH1A1NPSR1TNFGAA
SCHEMBL19181443 0.76 TDP1 (0.46) LMNAALDH1A1NPSR1GAAKDM4E
SCHEMBL10719288 0.75 TDP1 (0.46) LMNAALDH1A1TNFPDE4APDE4B
SCHEMBL21694483 0.74 NPSR1 (0.46) ALDH1A1NPSR1POLBMAPK1
SCHEMBL16694105 0.73 TSHR (0.36) ALDH1A1TP53CYP3A4HPGDHSD17B10
SCHEMBL9831506 0.73 TDP1 (0.41) LMNAALDH1A1TNFGAAPDE4A
SCHEMBL29260869 0.72 TDP1 (0.46) LMNAALDH1A1NPSR1TNFGAA
SCHEMBL27787794 0.72 TSHR (0.39) HPGD

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-4985328-A Metal Complex Charge Control Agents HITACHI CHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0360617-A2 Dry toner, dry developer and process for forming images Hitachi Chemical Co., Ltd. (JP) 1990-03-28 EP disclosed