SCHEMBL4449396

SCHEMBL4449396

CCCCCCOC(=O)c1cccc(CO)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
ESR1 P03372 3/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CNR2 P34972 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL6669066 1.00 LMNA (0.57) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL31346664 0.99 CYP4F2 (0.56) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL9770912 0.94 CYP4F2 (0.57) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL5709931 0.91 LMNA (0.59) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL28397798 0.89 CYP4F2 (0.62) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL29012572 0.89 CYP4F2 (0.62) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL110817 0.88 LMNA (0.66) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL111221 0.88 LMNA (0.66) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL19348924 0.88 LMNA (0.66) LMNAALDH1A1TSHRESR1NPC1
SCHEMBL5366432 0.88 LMNA (0.66) LMNAALDH1A1TSHRESR1NPC1

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed