SCHEMBL7322892

SCHEMBL7322892

O=C1CO[C@@H](Cc2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GBA1 P04062 1/20 0.38
EP300 Q09472 1/20 0.38
MAOB P27338 1/20 0.37
GRM2 Q14416 1/20 0.37
CTRB1 P17538 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL17756302 1.00 HDAC8 (0.42) HDAC8DDB1CRBNTSHRHTT
SCHEMBL2132300 0.81 OPRM1 (0.39)
SCHEMBL11605909 0.75 TDP1 (0.50) TSHRMAOBGRM2
SCHEMBL21461824 0.74 TLR9 (0.40) HDAC8DDB1CRBNTSHRHTT
SCHEMBL25181453 0.72 LMNA (0.43) HDAC8DDB1CRBNGRM2
SCHEMBL9142562 0.72 CYP3A4 (0.49) HDAC8POLBGAA
SCHEMBL8551693 0.72 HDAC8 (0.41) HDAC8DDB1CRBNTSHRHTT
SCHEMBL15133186 0.72 HDAC8 (0.41) HDAC8DDB1CRBNTSHRHTT
SCHEMBL1177522 0.72 HDAC8 (0.41) HDAC8DDB1CRBNTSHRHTT
SCHEMBL7385157 0.69 HDAC8 (0.47) HDAC8DDB1CRBNGBA1POLB

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-0964851-A1 C-TERMINAL KETONE HYDROXAMIC ACID INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFA SECRETION Abbott Laboratories (US) 1999-12-22 EP disclosed
US-5985911-A COMBATTING DISEASE STATES INVOLVING TISSUE DEGENERATIVE PROCESSES I.E, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR ABBOTT LABORATORIES (US) 1999-11-16 US disclosed
WO-1998030541-A1 C-TERMINAL KETONE HYDROXAMIC ACID INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFA SECRETION ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed