SCHEMBL9667671

SCHEMBL9667671

O=C1CCC(Cl)(C(=O)OCc2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
IDO1 P14902 2/20 0.40
AKR1C3 P42330 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4609023 0.82 DDB1 (0.54) SMN1; SMN2TDP1RAB9AL3MBTL1
SCHEMBL9666140 0.78 POLB (0.43) POLBSMN1; SMN2HTR2ATDP1RAB9A
SCHEMBL10553476 0.78 RAB9A (0.42) POLBSMN1; SMN2HTR2ATDP1RAB9A
SCHEMBL10552079 0.78 CYP2C9 (0.39) POLBSMN1; SMN2HTR2ATDP1RAB9A
SCHEMBL10556941 0.77 TDP1 (0.42) POLBSMN1; SMN2HTR2ATDP1RAB9A
SCHEMBL10553402 0.77 TDP1 (0.42) POLBSMN1; SMN2HTR2ATDP1RAB9A
SCHEMBL9667938 0.76 TDP1 (0.43) TDP1RAB9A
SCHEMBL9667725 0.76 TDP1 (0.41) POLBSMN1; SMN2HTR2ATDP1RAB9A
SCHEMBL9666874 0.76 TDP1 (0.47) SMN1; SMN2TDP1RAB9A
SCHEMBL10726590 0.76 HTR2A (0.48) HTR2ATDP1RAB9AIDO1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed