SCHEMBL23399480

SCHEMBL23399480

Cc1ccc(-c2c(O)nn(-c3ccc(C)cc3)c2CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 2/20 0.36
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
DPP9 Q86TI2 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23398498 0.93 CACNA1H (0.42) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23400813 0.93 CACNA1H (0.40) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23402968 0.91 CCKAR (0.45) SMN1; SMN2NPC1RAB9ACCKARPTGS2
SCHEMBL23402032 0.87 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23402222 0.84 CACNA1H (0.43) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23399781 0.84 CACNA1H (0.41) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23400595 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23403066 0.83 ADORA1 (0.37) KMT2AMAPTMEN1DPP4DPP8
SCHEMBL23402095 0.82 CACNA1H (0.36) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23401194 0.81 MAPT (0.42) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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