SCHEMBL20144700

SCHEMBL20144700

O=C(O)c1ccc(C(=O)OI)o1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.45
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 4/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7870939 0.82 TDP1 (0.48) TDP1ALDH1A1HPGDKMT2ANPC1
SCHEMBL11904537 0.81 TDP1 (0.61) TDP1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL38726 0.81 TDP1 (0.61) TDP1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL18911022 0.79 ALDH1A1 (0.49) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL1660549 0.78 HTT (0.60) TDP1ALDH1A1HPGDKMT2ANPC1
SCHEMBL16775004 0.78 TDP1 (0.45) TDP1ALDH1A1HPGDKMT2ANPC1
SCHEMBL23727166 0.78 TDP1 (0.58) TDP1ALDH1A1HPGDKMT2AKDM4E
Bromide SCHEMBL20513084 0.78 TDP1 (0.58) TDP1ALDH1A1HPGDKMT2AKDM4E
Fluoride SCHEMBL20513066 0.78 TDP1 (0.58) TDP1ALDH1A1HPGDKMT2APOLB
Fluoride SCHEMBL21331933 0.78 TDP1 (0.58) TDP1ALDH1A1HPGDKMT2APOLB

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
EP-3321260-B1 COMPOSITION OBTAINED BY PURIFYING CRUDE FURAN 2,5-DICARBOXYLIC ACID BY HYDROGENATION EASTMAN CHEM CO (US) 2022-07-13 EP disclosed
EP-3321260-A1 COMPOSITION OBTAINED BY PURIFYING CRUDE FURAN 2,5-DICARBOXYLIC ACID BY HYDROGENATION Eastman Chemical Company (US) 2018-05-16 EP disclosed