SCHEMBL9064896

SCHEMBL9064896

CCOc1c(N)cc(C(=O)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.49
CREBBP Q92793 1/20 0.49
GAA P10253 2/20 0.48
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
PLEC Q15149 1/20 0.45
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL28501635 0.90 TSHR (0.60) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL5924185 0.81 CA12 (0.55) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL15524451 0.78 TPMT (0.59) SMN1; SMN2HSD17B10TSHRHTTMAPT
SCHEMBL504156 0.78 TSHR (0.70) NPC1SMN1; SMN2TSHRGAAHTT
SCHEMBL5924145 0.78 TPMT (0.53) NPC1GAAHTTKDM4EALDH1A1
SCHEMBL1012426 0.77 PDE5A (0.46) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL10290616 0.77 CREBBP (0.45) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL1457769 0.77 PLAU (0.64) NPC1RAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL1458048 0.77 THRB (0.64) SMN1; SMN2HSD17B10TSHRHTTTHRB
SCHEMBL4737104 0.77 TDP1 (0.53) NPC1USP2RAB9ASMN1; SMN2HSD17B10

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
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed