SCHEMBL6167412

SCHEMBL6167412

Nc1cc(C(=O)O)cc(N2CCOCC2)c1.O=C(O)c1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
MAPT P10636 5/20 0.46
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PAX8 Q06710 1/20 0.43
GAA P10253 1/20 0.43
IDE P14735 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1172184 0.92 KMO (0.55) KMOMAPTAKR1C3ALDH1A1LMNA
SCHEMBL6167415 0.88 NPC1 (0.46) MAPTAKR1C3ALDH1A1LMNAKDM4E
SCHEMBL2724092 0.87 KMO (0.60) KMOMAPTAKR1C3ALDH1A1LMNA
SCHEMBL17542589 0.86 MAPT (0.48) MAPTAKR1C3ALDH1A1IDEPKM
Morpholine SCHEMBL6167416 0.84 MAPT (0.46) KMOMAPTALDH1A1LMNAPAX8
SCHEMBL1172381 0.83 SMN1; SMN2 (0.57) MAPTAKR1C3ALDH1A1LMNAKDM4E
SCHEMBL5129188 0.81 MAPT (0.50) MAPTAKR1C3ALDH1A1LMNAKDM4E
SCHEMBL14434287 0.80 KMO (0.56) KMOMAPTAKR1C3ALDH1A1LMNA
SCHEMBL1172369 0.78 MAPT (0.54) MAPTAKR1C3ALDH1A1KDM4EIDE
SCHEMBL2712653 0.78 MAPT (0.54) MAPTAKR1C3ALDH1A1KDM4EIDE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed