SCHEMBL28920770

SCHEMBL28920770

CC(C)(C)c1nc2ccccc2c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ GPR3 P46089 1/20 0.41
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ ACHE P22303 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
SCHEMBL24275930 0.85 GPR3 (0.42) ATMELANEGPR3POLBKDM4E
SCHEMBL13222013 0.83 ATM (0.55) ATMELANEGPR3POLBKDM4E
SCHEMBL12142339 0.79 GPR3 (0.54) ATMELANEGPR3POLBKDM4E
SCHEMBL14506374 0.78 ATM (0.43) ATMELANEGPR3POLBKDM4E
SCHEMBL12132910 0.75 MAPT (0.53) ATMELANEPOLBKDM4EALDH1A1
SCHEMBL29069929 0.74 HSD17B10 (0.57) ATMELANEPOLBKDM4EALDH1A1
SCHEMBL29730774 0.74 HSD17B10 (0.57) ATMELANEPOLBKDM4EALDH1A1
SCHEMBL10139179 0.72 ALDH1A1 (0.47) ATMELANEGPR3POLBKDM4E
SCHEMBL179260 0.72 LMNA (0.49) ATMELANEGPR3POLBKDM4E
SCHEMBL16132394 0.72 GPR3 (0.50) ATMELANEGPR3POLBKDM4E

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
CN-113272269-A Process for preparing ethers via enol ethers 英国石油有限公司 2021-08-17 — — CN disclosed
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