SCHEMBL5517515

SCHEMBL5517515

C=Cc1ccc(OC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.43
▸ GRIN3B O60391 2/20 0.43
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ GRIN2C Q14957 2/20 0.43
▸ GRIN3A Q8TCU5 2/20 0.43
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL2771360 0.82 KDM4E (0.46) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL8189111 0.80 TRPA1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24589193 0.79 ELANE (0.39) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL24589175 0.79 KDM4E (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6330182 0.77 ABCB1 (0.50) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL8200354 0.77 TRPA1 (0.55) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL358145 0.76 TUBB4A (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16410287 0.76 CYP1A2 (0.41) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL11852065 0.76 TTR (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1855163 0.75 ALDH1A1 (0.37) MAPTALDH1A1KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072136-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-29 — — US disclosed
EP-0909656-B1 Image recording medium containing an acid-generating agent, image recording method and thermosensitive polymer FUJI PHOTO FILM CO LTD (JP) 2004-09-29 — — EP disclosed
US-6409328-B1 BY MEANS OF A THERMAL PRINTER HEAD; COMPOUND CAPABLE OF RELEASING A STRONG ACID UNDER THE ACTION OF HEAT AND A COMPOUND CAPABLE OF FORMING A DYE BY THE REACTION WITH AN ACID FUJI PHOTO FILM CO., LTD. (JP) 2002-06-25 — — US disclosed
US-6329120-B1 HIGH PHOTOSENSITIVITY AND GOOD STORAGE STABILITY, SELF-BREEDING ACID CATALYST WHICH GENERATES AN ACID AND A SUBSTITUTED AMINO COMPOUND WHICH CAUSES VARIATION IN THE ABSORPTION REGION OF FROM 360 TO 900 NM WHEN SPLIT OFF BY THE FUJI PHOTO FILM CO., LTD. (JP) 2001-12-11 — — US disclosed
US-6329121-B2 ACID GENERATING AGENT CAPABLE OF GENERATING ACID BY ACTION OF HEAT OR AN ACID, AND A COMPOUND CAPABLE OF CAUSING VARIATION IN THE ABSORPTION REGION OF FROM 360 TO 900 NM BY INTRAMOLECULAR REACTION TRIGGERED BY ACID FUJI PHOTO FILM CO., LTD. (JP) 2001-12-11 — — US disclosed
US-20010016297-A1 Image recording medium, image recording method and heat coloring polymer compound FUJIFILM CORPORATION (JP) 2001-08-23 — — US disclosed
EP-1038887-A1 Thermosensitive colour-forming polymer FUJI PHOTO FILM CO., LTD. (JP) 2000-09-27 — — EP disclosed
US-6100009-A A VINYL POLYMER HAVING BOTH (A) A PARTIAL STRUCTURE GENERATING AN ACID BY THE ACTION OF HEAT OR AN ACID AND FURTHER BREADING AN ACID BY THE ACTION OF ACID GENERATED FROM THE PARTIAL STRUCTURE, (B) CAUSING VARIATION IN ABSORPTION FUJI PHOTO FILM CO., LTD. (JP) 2000-08-08 — — US disclosed
EP-0909656-A2 Image recording medium containing an acid-generating agent, image recording method and thermosensitive polymer Fuji Photo Film Co., Ltd. (JP) 1999-04-21 — — EP disclosed
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