SCHEMBL6695032

SCHEMBL6695032

CC1CN=C(c2ccc(C3=NCC(C)C(=O)O3)cc2)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL4054286 0.91 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6699838 0.86 NPC1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6700097 0.69 MMP2 (0.32) RAB9ANPC1
SCHEMBL2783537 0.67 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDNOS3NOS2
SCHEMBL6135895 0.64 NPC1 (0.33) RAB9ANPC1SMN1; SMN2
SCHEMBL9055482 0.64 MMP2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL9320424 0.64 MEN1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1NOS3
SCHEMBL6136318 0.61 SMN1; SMN2 (0.32) SMN1; SMN2NOS3NOS2
SCHEMBL3379728 0.61 USP1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL10448205 0.61 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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 10 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
US-5139885-A Aroamtic polester, halogenated diol, diglycidyl or dicarboxylic acid and a-di-heterocyclic compound; flexible heat stable POLYPLASTICS CO., LTD. (JP) 1992-08-18 US disclosed
US-5079284-A Halogenated nitrogen heterocycle as flame retardant POLYPLASTICS CO., LTD. (JP) 1992-01-07 US disclosed
US-4954541-A POLYESTER, HALOGENATED COMPOUND, HETEROCYCLIC COMPOUND POLYPLASTICS CO., LTD. (JP) 1990-09-04 US disclosed
EP-0320159-A1 Flame-retardant resin composition and electric wire POLYPLASTICS CO. LTD. (JP) 1989-06-14 EP disclosed
EP-0314303-A2 Resin modifier and modified resin POLYPLASTICS CO. LTD. (JP) 1989-05-03 EP disclosed
EP-0019061-B1 PROCESS FOR PRODUCING AROMATIC POLYESTERS HAVING INCREASED DEGREES OF POLYMERIZATION AND MOULDED ARTICLES COMPOSED OF THESE POLYESTERS TEIJIN LIMITED (JP) 1984-08-08 EP disclosed
US-4291152-A CHAIN EXTENSION WITH BICYCLIC OXAZINONE OR OXAZOLONE TEIJIN LIMITED (JP) 1981-09-22 US disclosed
EP-0019061-A1 Process for producing aromatic polyesters having increased degrees of polymerization and moulded articles composed of these polyesters TEIJIN LIMITED (JP) 1980-11-26 EP disclosed