SCHEMBL7408626

SCHEMBL7408626

CCCCC=CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ EPHX2 P34913 1/20 0.46
▸ CASP3 P42574 3/20 0.44
▸ TLR2 O60603 4/20 0.41
▸ FABP7 O15540 1/20 0.40
▸ FABP5 Q01469 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
SCHEMBL4612352 0.84 KMT2A (0.58) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL20825600 0.82 KMT2A (0.56) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL27081834 0.80 CASP3 (0.52) KMT2ACASP3TLR2
SCHEMBL16724665 0.80 KMT2A (0.48) KMT2AEPHX2CASP3TLR2
SCHEMBL19358192 0.79 KMT2A (0.59) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL16744160 0.79 TLR2 (0.53) CASP3TLR2
SCHEMBL16744142 0.79 TLR2 (0.53) CASP3TLR2
SCHEMBL28528205 0.79 KMT2A (0.58) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL8236471 0.78 KMT2A (0.70) KMT2AEPHX2
SCHEMBL1147745 0.77 KMT2A (0.47) KMT2AEPHX2CASP3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 — — EP disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 — — WO disclosed
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