SCHEMBL23399196

SCHEMBL23399196

CCCCc1c(-c2ccccc2C)nn(C(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.38
TLR8 Q9NR97 2/20 0.37
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL23402892 0.93 GCGR (0.36) GCGRTLR8MAPTSMN1; SMN2ESR1
SCHEMBL23402497 0.87 ESR1 (0.37) MAPTSMN1; SMN2ESR1PIK3CDABL1
SCHEMBL23402522 0.83 ESR1 (0.36) MAPTSMN1; SMN2ESR1PIK3CDABL1
SCHEMBL23402479 0.83 TLR8 (0.41) GCGRTLR8MAPTSMN1; SMN2ESR1
SCHEMBL23401764 0.83 MAPT (0.41) GCGRMAPTSMN1; SMN2ESR1PDE1A
SCHEMBL23398585 0.83 GCGR (0.36) GCGRTLR8MAPTSMN1; SMN2ESR1
SCHEMBL23400865 0.82 TLR8 (0.38) GCGRTLR8MAPTSMN1; SMN2ESR1
SCHEMBL23401012 0.81 ESR1 (0.42) TLR8MAPTSMN1; SMN2ESR1KDM4E
SCHEMBL23401357 0.81 ESR1 (0.40) TLR8MAPTESR1KDM4EALDH1A1
SCHEMBL23401320 0.80 TLR8 (0.36) GCGRTLR8MAPTSMN1; SMN2ALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed