SCHEMBL7764010

SCHEMBL7764010

CCOC(=O)C1(C(=O)NCCCc2ccccc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7762748 0.93 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7763532 0.85 PPID (0.53) MMP8EPHX2SMN1; SMN2HPGDKMT2A
SCHEMBL7762771 0.78 MMP8 (0.51) MMP8KMT2AL3MBTL1
SCHEMBL7765664 0.78 MMP8 (0.51) MMP8KMT2AL3MBTL1
SCHEMBL7758992 0.78 MMP8 (0.44) MMP8SMN1; SMN2CYP2C19KCNA3GAA
SCHEMBL11587943 0.76 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11265171 0.76 LMNA (0.54) KMT2APOLBL3MBTL1ALDH1A1KCNA3
SCHEMBL7406067 0.75 ITGB1 (0.61) MMP8KMT2AL3MBTL1ALDH1A1
SCHEMBL13860786 0.74 SMN1; SMN2 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11269898 0.74 LMNA (0.56) KMT2APOLBL3MBTL1ALDH1A1KCNA3

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-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed