SCHEMBL7402885

SCHEMBL7402885

C=CCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHX2 P34913 1/20 0.48
CASP3 P42574 2/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
TGM2 P21980 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
SCHEMBL7403546 0.96 KMT2A (0.68) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL6285024 0.95 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL7402295 0.92 KMT2A (0.62) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL571382 0.88 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL17130452 0.88 KMT2A (0.60) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL793384 0.86 KMT2A (0.85) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL10149864 0.86 KMT2A (0.48) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL7595024 0.85 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL8273302 0.85 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL4983472 0.85 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5

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
EP-2901160-B1 METHOD FOR SPECIFICALLY DETECTING A MATRIX METALLOPROTEINASE (MMP) WHICH IS ONLY OF INTEREST IN THE ACTIVE FORM THEREOF, IN A SAMPLE COMMISSARIAT À L EN ATOMIQUE ET AUX EN ALTERNATIVES (FR) 2016-10-19 EP disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed