SCHEMBL23399467

SCHEMBL23399467

Cc1cccc(-c2cnn(CC(C)C)c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RPS6KA3 P51812 1/20 0.39
ICMT O60725 1/20 0.37
S1PR1 P21453 1/20 0.37
LMNA P02545 1/20 0.37
GRIN2B Q13224 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL23402753 0.84 NPC1 (0.46) KMT2ANPC1RAB9ARPS6KA3GRIN2B
SCHEMBL23400784 0.84 PTGIR (0.46) NPC1RAB9AS1PR1CNR2CNR1
SCHEMBL23401453 0.82 P2RX3 (0.37) KMT2ANPC1RAB9AS1PR1MAPT
SCHEMBL23400250 0.82 KMT2A (0.44) KMT2ANPC1RAB9ARPS6KA3LMNA
SCHEMBL23398387 0.81 GRIN2B (0.37) KMT2ANPC1RAB9AICMTS1PR1
SCHEMBL23400329 0.80 TLR8 (0.44) KMT2ANPC1RAB9ARPS6KA3ICMT
SCHEMBL23400019 0.78 KMT2A (0.46) KMT2ANPC1RAB9ARPS6KA3MAPT
SCHEMBL23398611 0.76 KMT2A (0.49) KMT2ANPC1RAB9ARPS6KA3LMNA
SCHEMBL23398900 0.75 MAPT (0.36) KMT2ANPC1RAB9AS1PR1LMNA
SCHEMBL23401201 0.75 GABRA1 (0.40) KMT2ANPC1RAB9AICMTLMNA

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