SCHEMBL28913090

SCHEMBL28913090

COC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.63
MDM2 Q00987 1/20 0.63
LNPEP Q9UIQ6 3/20 0.60
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NLRP3 Q96P20 1/20 0.55
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
ERAP2 Q6P179 2/20 0.53
ERAP1 Q9NZ08 1/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL27827915 1.00 MDM4 (0.63) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL27909735 0.88 MDM4 (0.63) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL28923202 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL4157633 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL11940462 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL25446628 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL25446553 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL313879 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL13819236 0.87 MDM4 (0.64) MDM4MDM2LNPEPNPSR1KMT2A
SCHEMBL27827920 0.87 ATM (0.63) MDM4MDM2KMT2AALDH1A1HDAC1

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-112778188-A Preparation method of alternaria tenuifolia keto acid and derivatives thereof 安徽农业大学 2021-05-11 CN disclosed