SCHEMBL7204429

SCHEMBL7204429

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
CAPN1 P07384 3/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
FCER2 P06734 1/20 0.41

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
SCHEMBL7204422 1.00 KMT2A (0.59) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL29706360 0.87 KMT2A (0.53) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL7207300 0.87 KMT2A (0.53) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL14513402 0.87 KMT2A (0.53) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL7207304 0.87 KMT2A (0.53) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL18540646 0.85 KMT2A (0.50) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL14122963 0.81 KMT2A (0.47) KMT2A
SCHEMBL14123321 0.81 KMT2A (0.47) KMT2A
SCHEMBL7209529 0.80 CAPN1 (0.59) CAPN1MMP1MMP3MMP8FCER2
SCHEMBL7209524 0.80 CAPN1 (0.59) CAPN1MMP1MMP3MMP8FCER2

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-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed