SCHEMBL11054264

SCHEMBL11054264

NCCCCC(C(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTR2A P28223 1/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ MC4R P32245 1/20 0.43
▸ SSTR3 P32745 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ EPOR P19235 1/20 0.41

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
SCHEMBL11182740 0.99 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL4357291 0.83 EPOR (0.46) HTR2ARAB9ANPC1MC4RSSTR3
SCHEMBL648254 0.83 HDAC1 (0.55) SSTR3
SCHEMBL16494584 0.83 HDAC1 (0.55) SSTR3
Hydrochloric Acid SCHEMBL1930429 0.83 HDAC1 (0.54) SSTR3
Hydrochloric Acid SCHEMBL28627653 0.83 HDAC1 (0.54) SSTR3
Hydrochloric Acid SCHEMBL23723888 0.82 HDAC1 (0.56) SSTR3
SCHEMBL7640704 0.78 MAPT (0.65) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL5241716 0.78 LTA4H (0.48) L3MBTL1LTA4HEPOR
SCHEMBL4423862 0.78 MMP2 (0.53) MAPTCRHBPCRHR2L3MBTL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430265-A IMMUNOSTIMULATORY ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-02-07 — — US disclosed
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 — — US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 — — EP disclosed
EP-0002677-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1982-10-13 — — EP disclosed
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 — — EP disclosed
EP-0002677-A1 Glucosamine-peptide derivatives and their pharmaceutical compositions Takeda Chemical Industries, Ltd. (JP) 1979-07-11 — — EP disclosed
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