SCHEMBL9750431

SCHEMBL9750431

CC(C)CCCCCCOC(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARB P10826 1/20 0.43
AOC3 Q16853 1/20 0.40
GPR88 Q9GZN0 1/20 0.38
UGCG Q16739 4/20 0.37
GBA2 Q9HCG7 4/20 0.37
GBA1 P04062 3/20 0.37
LCT P09848 3/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 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
SCHEMBL28389100 1.00 KDM4E (0.43) KDM4EALDH1A1RARBAOC3GPR88
SCHEMBL28515552 0.84 LMNA (0.39) KDM4EALDH1A1AOC3GPR88MEN1
SCHEMBL10618772 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4850677 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28706904 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29211021 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28403155 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9750029 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10430492 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28903655 0.83 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315912-B1 SEBOSUPPRESSIVE PREPARATIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-17 EP disclosed
EP-0315912-A1 Sebosuppressive preparations Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP disclosed