SCHEMBL13625751

SCHEMBL13625751

CCCC(C)COC(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
ADRB2 P07550 8/20 0.46
ADRB1 P08588 8/20 0.46
ADRB3 P13945 8/20 0.46
MAPT P10636 2/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL6444519 0.94 MAPT (0.50) ADRB2ADRB1ADRB3MAPTCYP4F2
SCHEMBL27100548 0.89 MAPT (0.56) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL29702405 0.84 LMNA (0.52) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL4449731 0.83 CYP4F2 (0.49) LOXL2ADRB2ADRB1ADRB3MAPT
SCHEMBL5164152 0.83 TSHR (0.54) LOXL2ADRB2ADRB1ADRB3MAPT
SCHEMBL14770230 0.83 MAPT (0.59) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL5382671 0.82 MAPT (0.66) ADRB2ADRB1ADRB3MAPTCYP4F2
SCHEMBL26185708 0.81 MAPT (0.65) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL27826653 0.80 ALDH1A1 (0.67) LOXL2CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL9770903 0.79 ADRB2 (0.45) ADRB2ADRB1ADRB3MAPTCYP4F2

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