SCHEMBL23399757

SCHEMBL23399757

CCCc1c(-c2cccc(C)c2)nn(CC)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ESR1 P03372 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL23400538 0.93 TLR8 (0.41) RIPK2TRPM8NPC1L3MBTL1CTSS
SCHEMBL23401974 0.91 ESR1 (0.41) RIPK2TRPM8NPC1CTSSCTSK
SCHEMBL23400837 0.89 L3MBTL1 (0.39) RIPK2TRPM8NPC1L3MBTL1LMNA
SCHEMBL23402346 0.88 TLR8 (0.42) RIPK2CTSSCTSKESR1TP53
SCHEMBL23399916 0.87 RIPK2 (0.36) RIPK2TRPM8CTSSCTSKESR1
SCHEMBL23401175 0.85 TLR8 (0.40) RIPK2TRPM8NPC1CTSSCTSK
SCHEMBL23403598 0.84 KMT2A (0.46) L3MBTL1ESR1TP53LMNAKDM4E
SCHEMBL23400604 0.84 TLR8 (0.43) ESR1TP53KDM4ECYP1A2MAPT
SCHEMBL23402561 0.83 NPC1 (0.41) RIPK2TRPM8NPC1L3MBTL1LMNA
SCHEMBL23400162 0.83 KMT2A (0.46) NPC1ESR1TP53LMNAKDM4E

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