SCHEMBL8958183

SCHEMBL8958183

CCCCCCCCCCCCN(CCCCCCCCCCCC)OC(C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
PAX8 Q06710 1/20 0.43
ICMT O60725 1/20 0.42
ALB P02768 1/20 0.42
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CETP P11597 3/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
TP53 P04637 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAAA Q02083 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
Potassium SCHEMBL8957910 0.99 RAB9A (0.43) RAB9ANPC1JAK2PAX8ICMT
Potassium SCHEMBL8958398 0.99 RAB9A (0.43) RAB9ANPC1JAK2PAX8ICMT
Potassium SCHEMBL8958150 0.99 RAB9A (0.43) RAB9ANPC1JAK2PAX8ICMT
Potassium SCHEMBL8958227 0.99 RAB9A (0.43) RAB9ANPC1JAK2PAX8ICMT
Potassium SCHEMBL8957908 0.93 ESR2 (0.39) RAB9ATSHRLMNADRD2OPRM1
SCHEMBL8958019 0.81 CHRM2 (0.42) RAB9AALDH1A1TSHRLMNADRD2
SCHEMBL235012 0.71 NPC1 (0.47) RAB9ANPC1JAK2PAX8ICMT
SCHEMBL233200 0.71 NPC1 (0.47) RAB9ANPC1JAK2PAX8ICMT
SCHEMBL235953 0.71 NPC1 (0.47) RAB9ANPC1JAK2PAX8ICMT
SCHEMBL235949 0.71 NPC1 (0.47) RAB9ANPC1JAK2PAX8ICMT

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