SCHEMBL11370286

SCHEMBL11370286

[CH2]OC(=O)c1ccccc1NC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ ALDH1A1 P00352 8/20 0.56
▸ HPGD P15428 2/20 0.56
▸ KDM4E B2RXH2 9/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ LMNA P02545 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TSHR P16473 4/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL31126834 0.89 KDM4E (0.68) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2860044 0.89 KDM4E (0.68) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4474267 0.88 CYP1A2 (0.74) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL27465197 0.85 MEN1 (0.59) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL19805148 0.83 MEN1 (0.68) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL10489819 0.83 KMT2A (0.63) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL28401182 0.82 ALDH1A1 (0.72) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL11421007 0.81 MEN1 (0.62) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL10807728 0.81 MEN1 (0.62) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9044260 0.79 KMT2A (0.59) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19

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-0004956-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION, FODDER ADDITIVES, DRUGS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1981-10-14 — — EP disclosed
EP-0004956-A1 Beta-lactam antibiotics, process for their preparation, fodder additives, drugs and process for their preparation BAYER AG (DE) 1979-10-31 — — EP disclosed
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