SCHEMBL21333952

SCHEMBL21333952

C=C(C)C(=O)OC(O)Cc1ccc(-n2nc3ccc(Cl)cc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 10/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 5/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RORC P51449 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
THRB P10828 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1548095 0.89 PKM (0.37) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL25312232 0.87 HTT (0.40) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL10356836 0.78 RXFP1 (0.52) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL2132707 0.77 NPC1 (0.35) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL5807759 0.73 PPARG (0.39) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL21583720 0.72 RXFP1 (0.33) RXFP1MAPTTP53SMN1; SMN2
SCHEMBL27600171 0.72 ALDH1A1 (0.36) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL20960939 0.72 MAPT (0.43) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL7737494 0.71 NPC1 (0.31) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL21332516 0.70 RXFP1 (0.36) RXFP1MAPTTP53NPC1RAB9A

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-2019171529-A1 METHOD FOR IMPROVING WATER SOLUBILITY OF SPARINGLY-SOLUBLE COMPONENT 株式会社ADEKA 2019-09-12 WO disclosed