SCHEMBL11182740

SCHEMBL11182740

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ HTR2A P28223 1/20 0.46
▸ MC4R P32245 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ SSTR3 P32745 1/20 0.42
▸ LTA4H P09960 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
SCHEMBL11054264 0.99 MAPT (0.50) MAPTL3MBTL1CRHBPCRHR2HTR2A
SCHEMBL648254 0.82 HDAC1 (0.55) HDAC1HDAC2SSTR3
SCHEMBL4357291 0.82 EPOR (0.46) HTR2AMC4RRAB9ANPC1HDAC1
SCHEMBL16494584 0.82 HDAC1 (0.55) HDAC1HDAC2SSTR3
Hydrochloric Acid SCHEMBL28627653 0.82 HDAC1 (0.54) HDAC1HDAC2SSTR3
Hydrochloric Acid SCHEMBL1930429 0.82 HDAC1 (0.54) HDAC1HDAC2SSTR3
Hydrochloric Acid SCHEMBL23723888 0.81 HDAC1 (0.56) HDAC1HDAC2SSTR3
SCHEMBL7166074 0.79 ITGB3 (0.49) L3MBTL1LTA4H
SCHEMBL4384791 0.79 ITGB3 (0.49) L3MBTL1LTA4H
SCHEMBL7640704 0.77 MAPT (0.65) MAPTL3MBTL1CRHBPCRHR2HTR2A

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
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-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 — — EP disclosed
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