SCHEMBL21318546

SCHEMBL21318546

COC(=O)C1C2CC(c3ccc(-c4ccc(C5CC6CC5C5C(=O)OC(=O)C65)cc4)cc3)C(C2)C1C=O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 0.36
▸ SLC6A4 P31645 4/20 0.34

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
SCHEMBL24076119 0.82 MEN1 (0.31) —
SCHEMBL21318418 0.80 MAPK1 (0.30) —
SCHEMBL18511244 0.78 ALDH1A1 (0.37) —
SCHEMBL24076747 0.75 SLC6A3 (0.44) SLC6A3SLC6A4
SCHEMBL21318420 0.74 ALDH1A1 (0.39) —
SCHEMBL18511241 0.74 ALDH1A1 (0.39) —
SCHEMBL23310458 0.72 SLC6A3 (0.50) SLC6A3SLC6A4
SCHEMBL23273206 0.72 SLC6A3 (0.50) SLC6A3SLC6A4
SCHEMBL18522034 0.72 SLC6A3 (0.50) SLC6A3SLC6A4
SCHEMBL20626062 0.70 — —

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
EP-3135670-B1 TETRACARBOXYLIC DIANHYDRIDE, POLYAMIC ACID, POLYIMIDE, METHODS FOR PRODUCING SAME, AND POLYAMIC ACID SOLUTION JX NIPPON OIL & ENERGY CORP (JP) 2019-09-04 — — EP disclosed
Send feedback