SCHEMBL9417026

SCHEMBL9417026

CC(=Cc1ccccc1)c1cc(CNC(C)(C)C)cc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
ALOX5 P09917 2/20 0.37
TTR P02766 1/20 0.37
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 0.35
NSD2 O96028 1/20 0.34
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32
SCN2A Q99250 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL9416937 0.81 HDAC4 (0.39) PTGS1PTGS2ALOX5TTRHMGB1
SCHEMBL9417061 0.78 ALOX5 (0.40) PTGS1PTGS2ALOX5TTRHMGB1
SCHEMBL9417018 0.78 ALOX5 (0.35) PTGS1PTGS2ALOX5TTRNSD2
SCHEMBL9416981 0.77 TTR (0.33) PTGS1PTGS2ALOX5TTRHMGB1
SCHEMBL3634455 0.72 MEN1 (0.40) PTGS1PTGS2ALOX5TTRNISCH
SCHEMBL3634451 0.72 MEN1 (0.40) PTGS1PTGS2ALOX5TTRNISCH
SCHEMBL9417037 0.71 MAPT (0.44) NSD2MAPTLMNANPSR1L3MBTL1
SCHEMBL9417015 0.70 PDCD1 (0.41) PTGS1PTGS2ALOX5NSD2SCN2A
SCHEMBL3640372 0.70 PTGS1 (0.47) PTGS1PTGS2ALOX5TTRNISCH
SCHEMBL3640368 0.70 PTGS1 (0.47) PTGS1PTGS2ALOX5TTRNISCH

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
US-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed