SCHEMBL8545367

SCHEMBL8545367

COc1cccc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC6A12 P48065 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
APP P05067 2/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
FKBP1A P62942 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL8543378 0.92 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8548313 0.92 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8548463 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8544347 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8542696 0.85 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8545362 0.85 SLC6A12 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ASLC6A12
Hydrochloric Acid SCHEMBL9572058 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8545354 0.85 SLC6A12 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ASLC6A12
SCHEMBL8546908 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8544523 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4

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 4 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 claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
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