SCHEMBL4607072

SCHEMBL4607072

O=C(O)OC1CC(OC(=O)O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 2/20 0.40
POLB P06746 1/20 0.38
CHRNA7 P36544 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SLC6A4 P31645 1/20 0.37
EDNRA P25101 1/20 0.36
CHRM4 P08173 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5969950 0.87 SLC6A2 (0.59) SLC6A2SLC6A3POLBCHRNA7HTR3E
SCHEMBL30291012 0.79 ALDH1A1 (0.34) SLC6A2SLC6A3POLBCHRNA7SLC6A4
SCHEMBL22195189 0.76 THRB (0.38) SLC6A2SLC6A3POLBCHRNA7HTR3E
SCHEMBL4364782 0.75 CYP19A1 (0.42) MEN1KMT2AHSD17B10
SCHEMBL8308445 0.75 IDO1 (0.58) CHRM4HSD17B10TSHR
SCHEMBL18817861 0.72 IDO1 (0.60) SMN1; SMN2MEN1KMT2ACYP2D6CYP2C9
SCHEMBL29829637 0.72 POLB (0.50) POLBCHRM4SMN1; SMN2TSHR
SCHEMBL24988700 0.70 ALDH1A1 (0.40) POLBCHRM3CHRM1CHRM2CYP2D6
SCHEMBL8425500 0.70 ALDH1A1 (0.60) LMNASMN1; SMN2HSD17B10TSHR
SCHEMBL7596802 0.70 POLB (0.52) POLBEDNRALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565421-B1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PROD INC (US) 2008-07-23 EP claimed