SCHEMBL23398387

SCHEMBL23398387

Cc1cccc(-c2c(O)cnn2CC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.37
GRIN1 Q05586 3/20 0.37
ICMT O60725 1/20 0.37
S1PR1 P21453 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TLR8 Q9NR97 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
IDO1 P14902 1/20 0.34
METAP2 P50579 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL23402196 0.84 NPC1 (0.41) GRIN2BGRIN1KMT2ATLR8EGLN1
SCHEMBL23400063 0.84 S1PR1 (0.46) S1PR1LMNAHTR2AHTR2CHTR2B
SCHEMBL23402614 0.82 HTR2A (0.38) ICMTS1PR1KMT2AHTR2AHTR2C
SCHEMBL23402596 0.82 TP53 (0.41) GRIN2BGRIN1KMT2ATLR8EGLN1
SCHEMBL23399467 0.81 KMT2A (0.43) GRIN2BGRIN1ICMTS1PR1KMT2A
SCHEMBL23399144 0.80 TP53 (0.45) GRIN2BGRIN1ICMTKMT2ATLR8
SCHEMBL23400395 0.79 NPC1 (0.39) ICMTKMT2ALMNANPC1RAB9A
SCHEMBL23400778 0.78 SRC (0.40) KMT2ATLR8NPC1RAB9AIDO1
SCHEMBL23401503 0.78 ICMT (0.37) ICMTKMT2ALMNANPC1RAB9A
SCHEMBL23400529 0.76 PRMT5 (0.43) KMT2ALMNATLR8NPC1RAB9A

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