SCHEMBL7829657

SCHEMBL7829657

N#CC(CCCCCC(=O)O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HPGD P15428 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 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
SCHEMBL7831499 0.87 HDAC1 (0.51) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL7596070 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALOX15HTTHPGDPOLB
SCHEMBL7832126 0.85 L3MBTL1 (0.48) SMN1; SMN2HTTPOLBHSD17B10ALDH1A1
SCHEMBL28712690 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALOX15HTTHPGDPOLB
SCHEMBL11514240 0.75 MAPK9 (0.52) SMN1; SMN2HTTHPGDHSD17B10ALDH1A1
SCHEMBL28337548 0.74 MAPK9 (0.51) SMN1; SMN2HPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL5256102 0.73 LOXL2 (0.60) SMN1; SMN2ALOX15HTTHPGDPOLB
SCHEMBL7835431 0.71 SMN1; SMN2 (0.89) SMN1; SMN2ALOX15HTTHPGDPOLB
SCHEMBL7835167 0.71 SMN1; SMN2 (0.89) SMN1; SMN2ALOX15HTTHPGDPOLB
SCHEMBL9179542 0.71 POLB (0.56) SMN1; SMN2ALOX15HTTHPGDPOLB

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-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 — — EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 — — US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 — — EP disclosed
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