SCHEMBL16693227

SCHEMBL16693227

C=C(C)C(=O)OCCNC(=O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 4/20 0.48
ESRRG P62508 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL21246818 0.86 NPC1 (0.56) ALDH1A1TSHRCYP2C19BLMPMP22
SCHEMBL16693290 0.84 HDAC3 (0.49) LMNAALDH1A1MAPK1KMT2AMEN1
SCHEMBL24178814 0.83 HDAC1 (0.52) ALDH1A1KMT2AKDM4EMEN1CYP1A2
SCHEMBL14368851 0.83 NPC1 (0.55) ALDH1A1KMT2AHIF1AMEN1CYP1A2
SCHEMBL6417734 0.83 KMT2A (0.48) LMNAALDH1A1TSHRKMT2AMAPT
Phosphoric Acid SCHEMBL7716499 0.82 SMN1; SMN2 (0.59) LMNAALDH1A1CYP2C19KMT2AMEN1
SCHEMBL17447746 0.81 CA2 (0.47) ALDH1A1KMT2AKDM4EMEN1CYP1A2
SCHEMBL8016168 0.81 KMT2A (0.53) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL15695712 0.81 NPC1 (0.47) LMNAALDH1A1KMT2AKDM4EMAPT
SCHEMBL12379364 0.80 TSHR (0.42) ALDH1A1TSHRKMT2AMEN1CYP1A2

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-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed