SCHEMBL6694697

SCHEMBL6694697

O=C1CCN=C(c2cccc(C3=NCCC(=O)O3)c2)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
CHRNB4 P30926 6/20 0.31
CHRNA3 P32297 6/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PSMB8 P28062 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
SCHEMBL6136306 0.84 TSHR (0.36) NPC1HPGDRAB9ATSHR
SCHEMBL6699746 0.81 NPC1 (0.35) NPC1HPGDRAB9ANISCHSMN1; SMN2
SCHEMBL6136031 0.77 TSHR (0.45) TSHR
SCHEMBL16516875 0.70 KMT2A (0.43) NPC1RAB9ACHRNB4CHRNA3TSHR
SCHEMBL4898415 0.70 TSHR (0.50) HPGDTSHRPSMB8
SCHEMBL105809 0.68 NPC1 (0.41) NPC1NISCHSMN1; SMN2
SCHEMBL10448419 0.67 NOTUM (0.47)
SCHEMBL31567418 0.67 NOTUM (0.47) NPC1HPGDRAB9ANISCHSMN1; SMN2
SCHEMBL15362398 0.67 RXRA (0.41) NPC1HPGDATMSMN1; SMN2
SCHEMBL135941 0.67 SMN1; SMN2 (0.42) NPC1HPGDRAB9AATMSMN1; SMN2

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 13 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
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