SCHEMBL30147508

SCHEMBL30147508

O=C(O)C1(O)Cc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.46
CXCR5 P32302 8/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MME P08473 1/20 0.40
AKR1C1 Q04828 1/20 0.39
MMP8 P22894 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10999638 1.00 HDAC9 (0.46) HDAC9CXCR5HTR2AHTR2CHRH1
SCHEMBL11411488 0.86 CXCR5 (0.40) HDAC9CXCR5HTR2AHTR2CHRH1
SCHEMBL30863938 0.78 MMP8 (0.47) HDAC9CXCR5THRBTDP1MME
SCHEMBL1014144 0.78 MMP8 (0.47) HDAC9CXCR5THRBTDP1MME
SCHEMBL9439533 0.74 HDAC9 (0.44) HDAC9CXCR5HTR2AHTR2CHRH1
SCHEMBL27558944 0.74 HDAC9 (0.44) HDAC9CXCR5HTR2AHTR2CHRH1
SCHEMBL122942 0.74 HDAC9 (0.44) HDAC9CXCR5MMEAKR1C1MMP8
SCHEMBL1786936 0.74 HDAC9 (0.44) HDAC9CXCR5HTR2AHTR2CHRH1
SCHEMBL29476532 0.74 HDAC9 (0.44) HDAC9CXCR5MMEAKR1C1MMP8
SCHEMBL30147622 0.74 HDAC9 (0.44) HDAC9CXCR5MMEMMP8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
EP-4405352-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
WO-2023041756-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed