SCHEMBL11054551

SCHEMBL11054551

C=CC(=O)OC(CCC)C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.50
HDAC2 Q92769 4/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TGM2 P21980 1/20 0.44
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GPR88 Q9GZN0 1/20 0.40

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
SCHEMBL6167902 0.80 HDAC2 (0.64) KLK7HDAC2MEN1KMT2AALDH1A1
SCHEMBL7801726 0.80 HDAC2 (0.64) KLK7HDAC2MEN1KMT2AALDH1A1
SCHEMBL29117030 0.79 SLC6A2 (0.43) KLK7ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8015986 0.75 TSHR (0.37) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4641787 0.74 TSHR (0.41) HDAC2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL29101367 0.74 MEN1 (0.54) KLK7HDAC2MEN1KMT2AALDH1A1
SCHEMBL20621920 0.73 MEN1 (0.65) HDAC2MEN1KMT2AALDH1A1MAPT
SCHEMBL3171202 0.73 THRB (0.40) GPR88
SCHEMBL7954432 0.71 TGM2 (0.49) KLK7MEN1KMT2AALDH1A1MAPT
SCHEMBL1491201 0.71 HSD17B10 (0.69) MEN1KMT2AALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424100-A MONOUNSATURATED AND POLYUNSATURATED COMPOUNDS MOBIL OIL CORPORATION (US) 1984-01-03 US disclosed
US-4125503-A Ultraviolet curing emulsion systems MOBIL OIL CORPORATION (US) 1978-11-14 US disclosed
US-4072592-A ADDUCT OF ACRYLIC ACID AND EPOXY RESIN MOBIL OIL CORPORATION (US) 1978-02-07 US disclosed