SCHEMBL6971489

SCHEMBL6971489

O=C(O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
HPGD P15428 6/20 0.69
HSD17B10 Q99714 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
TSHR P16473 3/20 0.62
GFER P55789 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 1/20 0.57
MGLL Q99685 1/20 0.57

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
SCHEMBL108225 0.85 ALDH1A1 (0.90) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL7466468 0.84 HPGD (0.71) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL786692 0.83 ALDH1A1 (0.76) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL5970063 0.82 HPGD (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL8145757 0.81 HPGD (0.77) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL14140751 0.81 HPGD (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL13486221 0.81 HPGD (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL244547 0.81 HPGD (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL9309209 0.81 HPGD (0.65) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL3456555 0.80 HSD17B10 (0.61) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4

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-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed