SCHEMBL29995975

SCHEMBL29995975

O=C(CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ EPHX2 P34913 1/20 0.43
▸ OPRD1 P41143 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ CXCR2 P25025 1/20 0.39
▸ FABP7 O15540 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL30895521 1.00 KMT2A (0.48) KMT2AEPHX2OPRD1CASP3CXCR2
SCHEMBL3060297 0.95 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL29400520 0.95 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL31733654 0.95 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL23692441 0.87 PTPN1 (0.41) KMT2A
SCHEMBL29400357 0.86 KMT2A (0.54) KMT2AEPHX2OPRD1CASP3CXCR2
SCHEMBL22860768 0.86 KMT2A (0.54) KMT2AEPHX2OPRD1CASP3CXCR2
SCHEMBL3087950 0.84 KMT2A (0.58) KMT2AEPHX2CASP3CXCR2FABP7
SCHEMBL27072523 0.83 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3CXCR2
SCHEMBL26352259 0.83 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220307063-A1 METHOD FOR ANALYZING MICROBIAL FLORA NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2022-09-29 — — US disclosed
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