SCHEMBL9359013

SCHEMBL9359013

CONC(=O)c1ccc(C(=O)C(C)(C)C)cc1C(=O)c1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ MAPT P10636 6/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ RECQL P46063 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HTT P42858 2/20 0.35

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 0.93 KDM4E (0.47) ELANECYP1A2TDP1KDM4EMAPT
SCHEMBL9402882 0.91 MAPT (0.43) ELANECYP1A2CYP2C9TDP1NPC1
SCHEMBL9402614 0.90 CYP1A2 (0.41) CYP1A2CYP2C9KDM4EMAPTHSD17B10
SCHEMBL9402620 0.89 MAPT (0.46) ELANECYP1A2CYP2C9KDM4EMAPT
SCHEMBL9402700 0.89 MAPT (0.50) ELANECYP1A2CYP2C9NPC1MAPT
SCHEMBL9402942 0.87 ELANE (0.41) ELANECYP2C9TDP1NPC1KDM4E
SCHEMBL9402745 0.87 TDP1 (0.44) ELANETDP1MAPTLMNAALDH1A1
SCHEMBL9402779 0.87 CYP1A2 (0.39) CYP1A2CYP2C9NPC1KDM4EMAPT
SCHEMBL9402901 0.87 ELANE (0.36) ELANETDP1NPC1KDM4EMAPT
SCHEMBL9402795 0.85 TDP1 (0.39) ELANECYP2C9TDP1NPC1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463989-B1 N-oxyimidic acid derivatives SANDOZ LTD (CH) 1994-12-28 — — EP claimed
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 claimed
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 — — EP claimed
EP-0463989-B1 N-oxyimidic acid derivatives SANDOZ LTD (CH) 1994-12-28 — — EP disclosed
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
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 — — EP disclosed
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