SCHEMBL11533787

SCHEMBL11533787

CCCCOC(=O)C(C)c1ccc2c(c1)CC(C)(CC)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 3/20 0.39
PTGS2 P35354 1/20 0.36
RXRA P19793 1/20 0.35
HNF4A P41235 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL11527873 0.87 MAPK1 (0.40) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL11499291 0.71 SMN1; SMN2 (0.58) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28438225 0.71 SMN1; SMN2 (0.50) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11533788 0.71 MT-CO2 (0.45) L3MBTL1HPGDPTGS2PSEN1PSEN2
SCHEMBL9289868 0.70 PTGS2 (0.66) L3MBTL1PTGS2TSHRTDP1MAPT
SCHEMBL11717547 0.70 PTGS2 (0.50) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9239307 0.70 PTGS2 (0.66) L3MBTL1PTGS2TSHRTDP1MAPT
SCHEMBL28968063 0.70 L3MBTL1 (0.52) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL13156984 0.70 TSHR (0.54) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL15896735 0.70 TSHR (0.54) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2

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-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US disclosed