SCHEMBL14016339

SCHEMBL14016339

CCOC(=O)[C@H](N)C[C@H](N)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPA1 O75762 1/20 0.39
CAD P27708 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP1A2 P05177 1/20 0.38
CPB2 Q96IY4 1/20 0.37
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL8894678 0.91 SLC7A5 (0.52) ALOX15SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL839402 0.88 SLC7A5 (0.54) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL133092 0.88 SLC7A5 (0.54) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL196637 0.88 SLC7A5 (0.54) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL2953404 0.86 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL8038311 0.86 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL10887590 0.86 SLC7A5 (0.52) ALOX15ALDH1A1LMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL133091 0.86 SLC7A5 (0.52) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL10686184 0.86 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL7554622 0.86 CYP2C19 (0.45) ALOX15ALDH1A1LMNAHSD17B10GAA

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
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed