SCHEMBL10072449

SCHEMBL10072449

C=Cc1ccc(CCC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
THRB P10828 4/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL363995 0.86 F2RL1 (0.47) ALDH1A1MEN1KMT2AKDM4EBCHE
SCHEMBL9679627 0.84 BCHE (0.53) ALDH1A1BCHEACHETHRBFFAR1
SCHEMBL10912165 0.83 ALDH1A1 (0.77) ALDH1A1KDM4ENPC1LMNATP53
SCHEMBL3627111 0.82 FFAR1 (0.59) LMNAFFAR1
SCHEMBL3673964 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL24167624 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4ENPC1LMNA
SCHEMBL14275048 0.81 IAPP (0.53) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL9925059 0.81 ALDH1A1 (0.41) ALDH1A1BCHEACHETHRBCYP4F2
SCHEMBL3623872 0.81 BCHE (0.42) ALDH1A1LMNATP53MAPTBCHE
SCHEMBL21605324 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ENPC1

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
US-8087767-B2 Inkjet ink set E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-03 US disclosed
US-20070211126-A1 Inkjet ink set E. I. DU PONT DE NEMOURS AND COMPANY 2007-09-13 US disclosed