SCHEMBL28637679

SCHEMBL28637679

COC(=O)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
LMNA P02545 1/20 0.60
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
ALOX12 P18054 1/20 0.56
GAA P10253 1/20 0.53
BCL2L1 Q07817 1/20 0.48
ABCB1 P08183 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3145120 1.00 MAPK1 (0.62) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL11740426 0.88 MAPK1 (0.62) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL28587970 0.88 MAPK1 (0.62) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL810644 0.85 TAS1R3 (0.69) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL13753811 0.84 ALDH1A1 (0.74) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL26148923 0.84 TAS1R3 (0.68) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL31389134 0.84 TAS1R3 (0.68) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL13304417 0.80 TAS1R3 (0.49) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL28915010 0.80 ALDH1A1 (0.57) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL31099233 0.78 MAPK1 (0.66) MAPK1LMNAALDH1A1MEN1KMT2A

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
CN-113493487-B Compound and composition and application thereof in preparation of product for promoting proliferation of probiotics and/or inhibiting growth of harmful bacteria 深圳海创生物科技有限公司 2022-05-17 CN disclosed
CN-113493487-A Compound and composition and application thereof in preparation of product for promoting proliferation of probiotics and/or inhibiting growth of harmful bacteria 深圳海创生物科技有限公司 2021-10-12 CN disclosed