SCHEMBL7821089

SCHEMBL7821089

O=C(O)CCCCCCc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CYP1A2 P05177 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
TBXAS1 P24557 6/20 0.51
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
CFTR P13569 1/20 0.49
MGAM O43451 1/20 0.49
TRPV1 Q8NER1 4/20 0.48

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
SCHEMBL7832253 1.00 MAPT (0.57) MAPTRXFP1CYP1A2HDAC3HDAC4
SCHEMBL5197022 0.99 CYP1A2 (0.55) MAPTRXFP1CYP1A2HDAC3HDAC4
SCHEMBL5199025 0.94 CYP1A2 (0.60) MAPTRXFP1CYP1A2HDAC3HDAC4
SCHEMBL2846347 0.88 MGAM (0.54) CYP1A2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL3867467 0.87 MGAM (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11597016 0.86 CYP1A2 (0.50) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7832641 0.85 HDAC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7829432 0.85 HDAC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10772750 0.82 TRPV1 (0.46) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL18248510 0.82 HDAC1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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