SCHEMBL8958217

SCHEMBL8958217

CCCCCCN(CCCCCC)c1ccc(C(O)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.46
NR1H3 Q13133 4/20 0.46
CNR2 P34972 6/20 0.44
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MLYCD O95822 3/20 0.41
ICMT O60725 1/20 0.40
ALB P02768 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
SCHEMBL8958293 1.00 NR1H2 (0.46) NR1H2NR1H3CNR2NPC1JAK2
SCHEMBL8958343 0.94 NR1H2 (0.51) NR1H2NR1H3CNR2EGFRERBB2
SCHEMBL9345320 0.82 MEN1 (0.53) NR1H2NR1H3CNR2NPC1RAB9A
SCHEMBL1815516 0.79 CNR2 (0.46) CNR2NPC1JAK2RAB9APAX8
SCHEMBL12677177 0.79 CNR2 (0.46) CNR2NPC1JAK2RAB9APAX8
SCHEMBL10471667 0.79 CNR2 (0.48) NR1H2NR1H3CNR2NPC1JAK2
SCHEMBL11539577 0.79 PTGES (0.54) CNR2EGFRERBB2
SCHEMBL472312 0.79 PTGES (0.54) CNR2EGFRERBB2
SCHEMBL1134696 0.79 PTGES (0.54) CNR2EGFRERBB2
SCHEMBL3786342 0.79 PTGES (0.54) CNR2EGFRERBB2

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