SCHEMBL6700622

SCHEMBL6700622

CC1CC(=O)OC(c2cccc(C3=NC(C)CC(=O)O3)c2)=N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.33
ALDH2 P05091 1/20 0.33
RAB9A P51151 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
MAPT P10636 3/20 0.31
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL4046759 0.88 USP1 (0.38) NPC1ALDH1A1ALDH2RAB9AMAPT
SCHEMBL6136318 0.86 SMN1; SMN2 (0.32) NOS3NOS2
SCHEMBL6698793 0.79 NOS3 (0.42) NPC1ALDH1A1ALDH2RAB9AMAPT
SCHEMBL6699829 0.74 NPC1 (0.40) NPC1ALDH1A1RAB9AMAPTMEN1
SCHEMBL381302 0.72 NPC1 (0.62) NPC1ALDH1A1RAB9AMAPT
SCHEMBL14351707 0.72 NPC1 (0.62) NPC1ALDH1A1RAB9AMAPT
Hydrochloric Acid SCHEMBL8894953 0.70 NPC1 (0.60) NPC1ALDH1A1RAB9AMAPT
SCHEMBL6699746 0.69 NPC1 (0.35) NPC1ALDH1A1RAB9AMAPTMEN1
SCHEMBL9320594 0.69 NPC1 (0.50) NPC1ALDH1A1RAB9AMAPT
SCHEMBL6694697 0.67 NPC1 (0.33) NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068059-A1 Aliphatic polyester copolymer and process for producing the same, biodegradable resin molding based on aliphatic polyester, and lactone-containing resin DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2004-04-08 US disclosed
EP-1354908-A1 ALIPHATIC POLYESTER COPOLYMER AND PROCESS FOR PRODUCING THE SAME, BIODEGRADABLE RESIN MOLDING BASED ON ALIPHATIC POLYESTER, AND LACTONE-CONTAINING RESIN DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2003-10-22 EP disclosed
EP-0710684-B1 Preparation process of polyhydroxycarboxylic acid MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed