SCHEMBL26218846

SCHEMBL26218846

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 3/20 0.49
MAPK1 P28482 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 5/20 0.46
GPR35 Q9HC97 1/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 3/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL7558432 0.89 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL5629465 0.87 CYP2C19 (0.55) ALDH1A1HPGDNPSR1MAPK1SMN1; SMN2
SCHEMBL26218838 0.84 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL26218847 0.84 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL27557269 0.83 ALDH1A1 (0.54) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL8626579 0.81 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1NPC1MAPK1
SCHEMBL823705 0.80 RECQL (0.56) ALDH1A1HPGDMAPK1SMN1; SMN2MAPT
SCHEMBL30318004 0.80 RECQL (0.56) ALDH1A1HPGDMAPK1SMN1; SMN2MAPT
SCHEMBL17953132 0.79 KDM4E (0.55) ALDH1A1HPGDRAB9AGAAKDM4E
SCHEMBL6742909 0.78 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1RAB9ASMN1; SMN2

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