SCHEMBL7829595

SCHEMBL7829595

CCOC(=O)CCCCCc1nc2cccnc2s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
LMNA P02545 3/20 0.44
CYP2C9 P11712 1/20 0.44
TOP2A P11388 1/20 0.42
TBXAS1 P24557 1/20 0.42
MAPT P10636 3/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AHR P35869 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 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
SCHEMBL7831752 0.83 ALOX15 (0.57) LMNATBXAS1MAPT
SCHEMBL6642195 0.82 L3MBTL1 (0.69) L3MBTL1ALDH1A1LMNAMAPTKDM4E
SCHEMBL7835421 0.80 HDAC1 (0.49) LMNA
SCHEMBL9213501 0.75 KDM4E (0.50) ALDH1A1LMNACYP2C9MAPTTP53
SCHEMBL4929694 0.74 HDAC6 (0.53) L3MBTL1ALDH1A1LMNAMAPTTP53
SCHEMBL6643638 0.74 CYP4F2 (0.48) L3MBTL1ALDH1A1CYP4F2CYP4A11LMNA
SCHEMBL15920638 0.74 POLB (0.59) ALDH1A1LMNAMAPTTP53KDM4E
SCHEMBL9216318 0.74 CYP2C9 (0.43) ALDH1A1LMNACYP2C9TOP2AMAPT
SCHEMBL17921405 0.72 SUCNR1 (0.48) ALDH1A1CYP4F2CYP4A11LMNATBXAS1
SCHEMBL9216519 0.72 ALDH1A1 (0.56) L3MBTL1ALDH1A1LMNACYP2C9MAPT

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