SCHEMBL9879522

SCHEMBL9879522

O=C1COC(C(=O)c2ccccc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
HBB P68871 1/20 0.40
EPHX1 P07099 3/20 0.39
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL7208671 0.73 MAPT (0.55) MCL1MAPTHTTALOX15HBB
SCHEMBL2187877 0.69 MCL1 (0.62) MCL1MAPTHTTALOX15HBB
SCHEMBL9814781 0.68 MAPT (0.53) MCL1MAPTHTTALOX15HBB
SCHEMBL13446994 0.66 ALDH1A1 (0.49) MCL1MAPTHTTALOX15HBB
SCHEMBL5688901 0.66 EPHX1 (0.48) MCL1MAPTHTTALOX15HBB
SCHEMBL10384963 0.65 EPHX1 (0.57) MCL1MAPTHTTALOX15HBB
SCHEMBL8913473 0.65 EPHX1 (0.47) MCL1MAPTHTTALOX15HBB
SCHEMBL28101482 0.65 HTT (0.44) MCL1MAPTHTTALOX15HBB
SCHEMBL10503967 0.64 MCL1 (0.47) MCL1MAPTHTTALOX15HBB
SCHEMBL9509975 0.64 MCL1 (0.56) MCL1MAPTHTTALOX15HBB

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
US-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed
US-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed