SCHEMBL7417079

SCHEMBL7417079

CC(C)CC(=O)N(O)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL7421793 0.83 NPC1 (0.50) SMN1; SMN2MAPTKDM4EALDH1A1HTT
SCHEMBL6009689 0.73 TDP1 (0.61) TDP1POLBL3MBTL1GAACYP3A4
SCHEMBL7414529 0.73 POLB (0.40) SMN1; SMN2TDP1POLBL3MBTL1ALDH1A1
SCHEMBL9824905 0.71 POLB (0.51) SMN1; SMN2TDP1POLBL3MBTL1ALDH1A1
SCHEMBL13678990 0.71 EPHX2 (0.45) SMN1; SMN2TDP1POLBALDH1A1RAB9A
SCHEMBL13220228 0.69 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KMT2ALMNA
N',N'-Dimethylbenzohydrazide SCHEMBL952727 0.69 POLB (0.56) SMN1; SMN2TDP1MAPTKDM4EPOLB
SCHEMBL9799560 0.69 TSHR (0.63) SMN1; SMN2TDP1MAPTKDM4EPOLB
SCHEMBL2026026 0.69 TSHR (0.63) SMN1; SMN2TDP1MAPTKDM4EPOLB
Hippuric Acid SCHEMBL2597829 0.69 GPR139 (0.55) SMN1; SMN2TDP1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
CN-1265647-A Acyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 2000-09-06 CN disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed