SCHEMBL6354528

SCHEMBL6354528

C[C@H](N)C(=O)OC(=O)C1C2CC3CC(C2)CC1(C(=O)OC(=O)[C@H](C)N)C3

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
MAPT P10636 1/20 0.34
EPHX1 P07099 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.30

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
SCHEMBL692382 0.71 ALDH1A1 (0.38) EPHX1ALDH1A1
SCHEMBL3682434 0.71 CYP3A4 (0.43) ALDH1A1
SCHEMBL5433897 0.69 MAPK1 (0.40)
SCHEMBL6441379 0.65 CYP19A1 (0.48) SLC22A2SLC47A1MAPTEPHX1NPC1
SCHEMBL10613175 0.65 CYP19A1 (0.48) SLC22A2SLC47A1MAPTEPHX1NPC1
SCHEMBL5434102 0.65 EPHX2 (0.38) MAPTALDH1A1
SCHEMBL2566839 0.65 EPHX2 (0.38) MAPTALDH1A1
Hydrochloric Acid SCHEMBL10613170 0.64 MAPT (0.48) SLC22A2SLC47A1MAPTEPHX1NPC1
SCHEMBL7744513 0.64 EPHX2 (0.37) MAPTALDH1A1
SCHEMBL5428779 0.64 EPHX2 (0.37) MAPTALDH1A1

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-6974658-B2 HIGH MOLECULAR COMPOUND, MONOMER COMPOUNDS AND PHOTOSENSITIVE COMPOSITION FOR PHOTORESIST, PATTERN FORMING METHOD UTILIZING PHOTOSENSITIVE COMPOSITION, AND METHOD OF MANUFACTURING ELECTRONIC COMPONENTS KABUSHIKI KAISHA TOSHIBA (JP) 2005-12-13 US disclosed