SCHEMBL7834868

SCHEMBL7834868

COc1ccc(C(CCCCC(=O)O)c2c(C)c(OC)c3ccccc3c2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.46
TBXAS1 P24557 3/20 0.41
PDE4B Q07343 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CASR P41180 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL7820552 0.91 CNR2 (0.41) CNR1CNR2CASRL3MBTL1PLA2G1B
SCHEMBL5448847 0.91 TBXA2R (0.48) TBXA2RTBXAS1CYP2C9
SCHEMBL5448839 0.91 TBXA2R (0.48) TBXA2RTBXAS1CYP2C9
SCHEMBL7833310 0.85 LTB4R (0.41) TBXA2RTBXAS1PDE4BCNR1CNR2
SCHEMBL12761962 0.84 CYP2C9 (0.46) CNR1CNR2L3MBTL1PLA2G1BATG4B
SCHEMBL9310437 0.83 TBXA2R (0.54) TBXA2RTBXAS1CYP2C9
SCHEMBL7829250 0.82 TBXA2R (0.40) TBXA2RCNR1CNR2LMNACYP1A2
SCHEMBL9308388 0.82 TBXA2R (0.56) TBXA2RTBXAS1CYP2C9
SCHEMBL9391332 0.80 PDE4B (0.57) TBXA2RTBXAS1PDE4BCNR1CNR2
SCHEMBL9310060 0.79 TBXA2R (0.49) TBXA2RTBXAS1PDE4BCNR1CNR2

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