SCHEMBL21180822

SCHEMBL21180822

C=Cc1ccc(CCl)c(-c2cc(C=C)ccc2OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
PTGS1 P23219 1/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL809843 0.86 AKR1C3 (0.48) ALOX5PTGS1LMNARAB9ANPC1
SCHEMBL809846 0.86 TRPA1 (0.41) ALOX5PTGS1LMNARAB9ANPC1
SCHEMBL726364 0.76 JUN (0.55) ALOX5PTGS1RAB9AKDM4EJUN
SCHEMBL31518926 0.76 JUN (0.55) ALOX5PTGS1RAB9AKDM4EJUN
SCHEMBL1088564 0.75 JUN (0.44) ALOX5PTGS1LMNARAB9AKDM4E
SCHEMBL22599667 0.74 AKR1C3 (0.48) ALOX5PTGS1LMNARAB9ANPC1
SCHEMBL809905 0.74 HTR2C (0.39) PTGS1LMNARAB9ANPC1PKM
SCHEMBL28078757 0.73 AKR1C3 (0.47) ALOX5PTGS1LMNARAB9ANPC1
SCHEMBL3906645 0.73 AKR1C3 (0.53) ALOX5PTGS1LMNARAB9AKDM4E
SCHEMBL29030377 0.73 TRPA1 (0.50) ALOX5PTGS1LMNARAB9AKDM4E

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
US-10358641-B2 Monoliths with attached recognition compounds, arrays thereof and uses thereof DICE MOLECULES SV, LLC (US) 2019-07-23 US disclosed