SCHEMBL9402644

SCHEMBL9402644

CC(C)(C)C(=O)c1ccc(C(=O)c2cc(C(=O)C(C)(C)C)ccc2C(=O)NOc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ BCL2 P10415 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL9402776 0.85 KDM4E (0.47) ELANEKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9359013 0.83 ELANE (0.39) ELANEKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9402689 0.82 RAB9A (0.43) ELANEKDM4EALDH1A1LMNAMAPT
SCHEMBL9402914 0.82 RAB9A (0.50) KDM4ESRD5A2
SCHEMBL9402942 0.82 ELANE (0.41) ELANEKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9402634 0.81 TDP1 (0.38) ELANEKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9358950 0.80 TDP1 (0.37) ELANEKDM4ESRD5A2TDP1ALDH1A1
SCHEMBL9402795 0.80 TDP1 (0.39) ELANEKDM4EBCL2MCL1MAPK1
SCHEMBL9402901 0.79 ELANE (0.36) ELANEKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9402931 0.78 RAB9A (0.48) ELANELMNAPOLB

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
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 — — US disclosed
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