SCHEMBL23401296

SCHEMBL23401296

Cc1cccc(-c2c(O)c(C(C)(C)C)nn2C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.45
SRC P12931 2/20 0.41
ABL1 P00519 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PRKCZ Q05513 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 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
SCHEMBL23399849 0.87 RIPK2 (0.48) RIPK2SRCABL1CNR1CNR2
SCHEMBL23399578 0.84 CNR1 (0.40) RIPK2SRCABL1CNR1CNR2
SCHEMBL23400144 0.83 HTR2A (0.44) SRCABL1ALDH1A1NPC1RAB9A
SCHEMBL23403666 0.82 HPGD (0.37) RIPK2SRCABL1ALDH1A1LMNA
SCHEMBL23402439 0.82 NPC1 (0.44) RIPK2CNR1CNR2ALDH1A1LMNA
SCHEMBL23399178 0.82 RIPK2 (0.50) RIPK2SRCABL1CNR1CNR2
SCHEMBL23399101 0.81 RIPK2 (0.49) RIPK2SRCABL1CNR1CNR2
SCHEMBL23399019 0.81 SRC (0.39) RIPK2SRCABL1CNR1CNR2
SCHEMBL23403299 0.80 RIPK2 (0.45) RIPK2SRCABL1CNR1CNR2
SCHEMBL23398577 0.79 RIPK2 (0.47) RIPK2SRCABL1CNR1CNR2

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