SCHEMBL5221159

SCHEMBL5221159

CCCc1cc(C(=O)OC)c(F)c(N2CCCC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BACE1 P56817 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5221777 0.88 ALDH1A1 (0.40) LMNAHPGDTSHRUSP2CYP1A2
SCHEMBL5216498 0.84 BACE1 (0.47) LMNAHPGDTSHRCYP1A2CYP3A4
SCHEMBL5219064 0.82 HSD17B10 (0.42) LMNAHPGDTSHRCYP1A2CYP3A4
SCHEMBL5851474 0.82 SMN1; SMN2 (0.42) LMNAHPGDTSHRCYP1A2CYP3A4
SCHEMBL5216170 0.81 HSD17B10 (0.41) LMNAHPGDTSHRCYP3A4CYP2C9
SCHEMBL5853141 0.79 CFTR (0.41) LMNAHPGDTSHRCYP1A2CYP3A4
SCHEMBL5222867 0.78 HSD17B10 (0.36) LMNAHPGDTSHRCYP3A4CYP2C9
SCHEMBL5222872 0.78 HSD17B10 (0.36) LMNAHPGDTSHRCYP3A4CYP2C9
SCHEMBL5222877 0.78 HSD17B10 (0.36) LMNAHPGDTSHRCYP3A4CYP2C9
SCHEMBL5223450 0.77 ALDH1A1 (0.46) LMNAALDH1A1POLBGAAMAPT

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed