SCHEMBL26218844

SCHEMBL26218844

CC(C)Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.55
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 3/20 0.44
MAPK1 P28482 3/20 0.44
RAB9A P51151 3/20 0.44
GLA P06280 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
XDH P47989 1/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 2/20 0.40
GPR35 Q9HC97 1/20 0.40
MASP2 O00187 1/20 0.39

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
SCHEMBL10352192 0.86 PDK1 (0.53) PDK1ALDH1A1HPGDMAPK1MAPT
SCHEMBL8626579 0.82 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL27557269 0.81 ALDH1A1 (0.54) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL26218838 0.80 ALDH1A1 (0.48) PDK1ALDH1A1HPGDNPSR1NPC1
SCHEMBL26607485 0.79 ALDH1A1 (0.40) PDK1ALDH1A1HPGDNPSR1NPC1
SCHEMBL26607482 0.79 ALDH1A1 (0.40) PDK1ALDH1A1HPGDNPSR1NPC1
SCHEMBL1936811 0.79 GPR35 (0.43) PDK1ALDH1A1HPGDNPSR1NPC1
SCHEMBL29749825 0.79 PDK1 (0.58) PDK1ALDH1A1HPGDMAPK1MAPT
SCHEMBL6809251 0.79 PDK1 (0.58) PDK1ALDH1A1HPGDMAPK1MAPT
SCHEMBL8798263 0.79 PDK1 (0.58) PDK1ALDH1A1HPGDNPC1MAPK1

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-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 US disclosed