SCHEMBL7820552

SCHEMBL7820552

COC(=O)CCCCC(c1ccc(OC)cc1)c1c(C)c(OC)c2ccccc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
CASR P41180 2/20 0.41
HTT P42858 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7829250 0.91 TBXA2R (0.40) CNR2CNR1LMNACYP1A2CYP2C9
SCHEMBL7834868 0.91 TBXA2R (0.46) CNR2CNR1CASRHTTMEN1
SCHEMBL9307992 0.83 TBXA2R (0.46) LMNACYP2C9GAA
SCHEMBL5448839 0.82 TBXA2R (0.48) CYP2C9
SCHEMBL5448847 0.82 TBXA2R (0.48) CYP2C9
SCHEMBL12761962 0.80 CYP2C9 (0.46) CNR2CNR1HTTMEN1KMT2A
SCHEMBL7833310 0.77 LTB4R (0.41) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL22172496 0.76 TBXA2R (0.50) LMNAHDAC2
SCHEMBL9310437 0.74 TBXA2R (0.54) CYP2C9
SCHEMBL28556129 0.74 LMNA (0.51) KMT2ALMNA

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