SCHEMBL9331004

SCHEMBL9331004

CCCCCCCCCCCCCCCC(=O)ON(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
EPHX2 P34913 1/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PAM P19021 2/20 0.45
DGKA P23743 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 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
SCHEMBL9791432 0.79 LMNA (0.42) CES2CES1NPC1JAK2RAB9A
SCHEMBL1696042 0.78 CES2 (0.44) CES2CES1NPC1JAK2RAB9A
SCHEMBL15993618 0.77 CES2 (0.53) CES2CES1EPHX2LMNAPAM
Heptanoate SCHEMBL21145130 0.76 GPR84 (0.63) CES2CES1TSHRALDH1A1LMNA
Undecanoate SCHEMBL21145292 0.76 GPR84 (0.63) CES2CES1TSHRALDH1A1LMNA
Octanoic Acid SCHEMBL21145110 0.76 GPR84 (0.63) CES2CES1TSHRALDH1A1LMNA
Dodecanoate SCHEMBL21145170 0.76 GPR84 (0.63) CES2CES1TSHRALDH1A1LMNA
Nonanoate SCHEMBL21145165 0.76 GPR84 (0.63) CES2CES1TSHRALDH1A1LMNA
Decanoic Acid SCHEMBL21145169 0.76 GPR84 (0.63) CES2CES1TSHRALDH1A1LMNA
SCHEMBL12088208 0.76 DNM1 (0.59) CES2CES1NPC1JAK2RAB9A

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-5350634-A Microcapsules, desensitizers SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US disclosed