SCHEMBL30600490

SCHEMBL30600490

O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ ITGB2 P05107 3/20 0.51
▸ ICAM1 P05362 3/20 0.51
▸ ITGAL P20701 3/20 0.51
▸ MME P08473 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ MDM2 Q00987 5/20 0.49
▸ HIF1A Q16665 1/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ AGTR2 P50052 1/20 0.45

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
SCHEMBL17269327 1.00 MDM4 (0.56) MDM4TP53ITGB2ICAM1ITGAL
SCHEMBL20677239 1.00 MDM4 (0.56) MDM4TP53ITGB2ICAM1ITGAL
SCHEMBL28015870 1.00 MDM4 (0.56) MDM4TP53ITGB2ICAM1ITGAL
SCHEMBL15164253 0.88 MDM4 (0.48) MDM4TP53MMEECE1MDM2
SCHEMBL27890071 0.88 MDM4 (0.49) MDM4TP53MMEECE1MDM2
SCHEMBL20106639 0.87 MDM4 (0.47) MDM4TP53CASP3
SCHEMBL17269328 0.82 MDM4 (0.47) MDM4TP53MDM2
SCHEMBL22444779 0.82 MDM4 (0.56) MDM4TP53MDM2CASP3
SCHEMBL27041536 0.82 MDM4 (0.56) MDM4TP53MDM2CASP3
SCHEMBL118169 0.81 MDM4 (0.59) MDM4TP53MDM2CASP3

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
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
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