SCHEMBL6943813

SCHEMBL6943813

CC(C)[C@H](O)CCc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.40
ALOX15 P16050 7/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX12 P18054 3/20 0.39
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
CYP2D6 P10635 3/20 0.39
IGF1R P08069 3/20 0.39
MEN1 O00255 2/20 0.39
ESR1 P03372 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL21034647 0.81 ALDH1A1 (0.52) ALOX15KDM4EMAPK1ALDH1A1HIF1A
SCHEMBL21034788 0.78 ALOX15 (0.57) ALOX15KDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL21034795 0.78 ALOX15 (0.52) ALOX15KDM4EMAPK1ALDH1A1HIF1A
SCHEMBL5167973 0.76 CNR1 (0.55) ALOX15KDM4EMAPK1ALDH1A1CYP3A4
SCHEMBL21002247 0.76 ALOX15 (0.55) ALOX15KDM4EALDH1A1CYP1A2MAPT
SCHEMBL6948293 0.75 GRIA4 (0.45) LMNATP53RECQLTSHRKCNH2
SCHEMBL6940712 0.75 GRIA4 (0.45) LMNATP53RECQLTSHRKCNH2
SCHEMBL5165556 0.75 GABRA1 (0.55) RENALOX15KDM4EMAPK1ALDH1A1
SCHEMBL6949100 0.74 ALOX5AP (0.48) RENKDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL6940748 0.74 ALOX5AP (0.48) RENKDM4ECYP3A4CYP1A2CYP2D6

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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed