SCHEMBL8958343

SCHEMBL8958343

CCCCN(CCCC)c1ccc(C(O)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.51
NR1H3 Q13133 12/20 0.51
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
CNR2 P34972 1/20 0.46
MLYCD O95822 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NR1I2 O75469 1/20 0.43

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
SCHEMBL8958217 0.94 NR1H2 (0.46) NR1H2NR1H3EGFRERBB2CNR2
SCHEMBL8958293 0.94 NR1H2 (0.46) NR1H2NR1H3EGFRERBB2CNR2
SCHEMBL9345320 0.84 MEN1 (0.53) NR1H2NR1H3CNR2KDM4EALDH1A1
SCHEMBL599438 0.80 NR1H2 (0.58) NR1H2NR1H3CNR2MLYCDKDM4E
SCHEMBL10473365 0.78 NR1H2 (0.44) NR1H2NR1H3EGFRERBB2CNR2
SCHEMBL7153351 0.78 EGFR (0.50) NR1H2NR1H3EGFRERBB2CNR2
SCHEMBL10473275 0.78 NR1H2 (0.46) NR1H2NR1H3EGFRERBB2CNR2
SCHEMBL472266 0.77 EGFR (0.58) EGFRERBB2CNR2KDM4EALDH1A1
SCHEMBL5283357 0.77 NR1H2 (0.47) NR1H2NR1H3EGFRERBB2NR1I2
SCHEMBL11373304 0.76 EGFR (0.56) EGFRERBB2CNR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535842-B1 Benzofuranones ZENECA LTD (GB) 1996-01-10 EP disclosed
US-5389597-A For dye diffusion thermal transfer printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-02-14 US disclosed
US-5268490-A With indan-1,3-dione and aminobenzene ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-07 US disclosed
EP-0535842-A1 Benzofuranones ZENECA LIMITED (GB) 1993-04-07 EP disclosed