SCHEMBL8550585

SCHEMBL8550585

COc1cc(C(=O)C[C](C=Cc2ccccc2)C[C@H](C)C(N)=O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.56
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ABCB1 P08183 3/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTR1A P08908 1/20 0.44
CTSK P43235 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43

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
SCHEMBL8548671 0.76 LMNA (0.51) ALDH1A1KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL12484518 0.73 TNFRSF1A (1.00) TNFRSF1AABCB1ABCG2TUBB4ATUBB
SCHEMBL12484514 0.73 TNFRSF1A (1.00) TNFRSF1AABCB1ABCG2TUBB4ATUBB
Dimethylamine SCHEMBL6356653 0.72 TNFRSF1A (0.92) TNFRSF1AALDH1A1KDM4EMAPTTDP1
SCHEMBL8545816 0.70 KMT2A (0.46) TNFRSF1AALDH1A1KDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8550542 0.69 ALDH1A1 (0.45) TNFRSF1AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL10882250 0.68 KMT2A (0.64) ALDH1A1KDM4EMEN1KMT2ATUBB4A
SCHEMBL7046987 0.68 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTTDP1ABCG2
SCHEMBL23295219 0.67 TNFRSF1A (0.64) TNFRSF1AALDH1A1KDM4EMAPTTDP1
SCHEMBL14947393 0.67 TNFRSF1A (0.82) TNFRSF1AABCB1ABCG2TUBB4ATUBB

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-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed