SCHEMBL7415328

SCHEMBL7415328

C[C@@H](NC(=O)c1cccnc1)C(=O)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
LMNA P02545 2/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
ADAM17 P78536 1/20 0.52
PREP P48147 1/20 0.51
FAP Q12884 1/20 0.51
THRB P10828 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 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
SCHEMBL27518111 1.00 HDAC1 (0.63) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL291032 0.88 RAB9A (0.56) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL7421788 0.85 ADAM17 (0.61) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL6860757 0.84 HDAC1 (0.57) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL2794824 0.84 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL29748479 0.84 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL513251 0.84 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL2797592 0.84 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL30151637 0.84 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL8804879 0.83 LMNA (0.56) HDAC1HDAC6LMNANPC1RAB9A

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
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
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