SCHEMBL8958019

SCHEMBL8958019

CCN(CC)OC(C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
NFKB1 P19838 1/20 0.39
SCN1A P35498 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39

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 SCHEMBL8957908 0.82 ESR2 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8958183 0.81 RAB9A (0.43) CYP1A2CYP2D6CYP2C19TSHRLMNA
Potassium SCHEMBL8958150 0.80 RAB9A (0.43) CYP1A2CYP2D6CYP2C19TSHRLMNA
Potassium SCHEMBL8958227 0.80 RAB9A (0.43) CYP1A2CYP2D6CYP2C19TSHRLMNA
Potassium SCHEMBL8958398 0.80 RAB9A (0.43) CYP1A2CYP2D6CYP2C19TSHRLMNA
Potassium SCHEMBL8957910 0.80 RAB9A (0.43) CYP1A2CYP2D6CYP2C19TSHRLMNA
SCHEMBL3487783 0.75 KIF11 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5130509 0.72 KCNN4 (0.52) MAPTKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL3947548 0.68 MAPT (0.53) CHRM2CHRM1CHRM3MAPTKMT2A
SCHEMBL31384465 0.68 ALDH1A1 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5

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