SCHEMBL7413732

SCHEMBL7413732

C[C@@H](NC(=O)c1ccccc1)C(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HDAC1 Q13547 2/20 0.55
HDAC3 O15379 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
IDO1 P14902 1/20 0.55
ALOX15 P16050 1/20 0.55
CA9 Q16790 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
LMNA P02545 2/20 0.54
GFER P55789 1/20 0.54
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49

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
SCHEMBL28743340 1.00 SMN1; SMN2 (0.59) SMN1; SMN2HDAC1HDAC3CA12CA1
SCHEMBL3658406 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNAGFERALDH1A1RAB9A
SCHEMBL11431508 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CA1LMNAGFERGPR139
SCHEMBL12837676 0.84 GFER (0.52) SMN1; SMN2HDAC1CA12CA1CA9
SCHEMBL2796740 0.82 CA1 (0.62) SMN1; SMN2HDAC1HDAC3CA12CA1
SCHEMBL698879 0.82 CA1 (0.62) SMN1; SMN2HDAC1HDAC3CA12CA1
SCHEMBL698880 0.82 CA1 (0.62) SMN1; SMN2HDAC1HDAC3CA12CA1
SCHEMBL7417071 0.82 KMT2A (0.64) SMN1; SMN2HDAC1HDAC3CA12CA1
SCHEMBL19781296 0.82 KMT2A (0.64) SMN1; SMN2HDAC1HDAC3CA12CA1
SCHEMBL19976892 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HDAC1HDAC8HDAC6LMNA

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