SCHEMBL9812380

SCHEMBL9812380

CC1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ ACHE P22303 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ CES1 P23141 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA3 P07451 2/20 0.42

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
SCHEMBL9110057 0.92 HSD17B10 (0.48) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL26218806 0.92 MAPT (0.49) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL26218807 0.90 MAPT (0.48) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL13093643 0.87 HSD17B10 (0.44) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL16357119 0.87 L3MBTL1 (0.48) HSD17B10ACHEALDH1A1RECQLLMNA
SCHEMBL23728176 0.87 ALDH1A1 (0.49) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL23727719 0.85 NPSR1 (0.45) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL29177330 0.82 HSD17B10 (0.47) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL10864796 0.80 HSD17B10 (0.45) HSD17B10ACHEALDH1A1RECQLMAPK1
SCHEMBL19410323 0.77 ALDH1A1 (0.50) HSD17B10ACHEALDH1A1LMNAMAPT

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-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 — — US disclosed
EP-0257882-B1 N-PHENYL BUTENAMIDES WITH PHARMACEUTICAL PROPERTIES LILLY INDUSTRIES LIMITED (GB) 1991-07-24 — — EP disclosed
US-4892963-A IMMUNE DISEASES LILLY INDUSTRIES LIMITED (GB) 1990-01-09 — — US disclosed
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