SCHEMBL11749385

SCHEMBL11749385

O=C(O)c1ccc2oc3ccc(C(=O)O)c(Cl)c3c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 10/20 0.67
AKR1B1 P15121 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
PTGER1 P34995 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
PTGDR Q13258 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TBK1 Q9UHD2 2/20 0.42
IKBKE Q14164 1/20 0.42
TBXAS1 P24557 1/20 0.42
STS P08842 1/20 0.40

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
SCHEMBL11367849 0.82 TTR (0.54) TTRMEN1KMT2AKDM4EALDH1A1
SCHEMBL2808430 0.81 TTR (0.72) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL29415448 0.81 TTR (0.72) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL68189 0.81 TTR (0.83) TTRAKR1B1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11749391 0.80 TTR (0.81) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL71110 0.76 TTR (0.68) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL11859810 0.75 TTR (0.89) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL11322640 0.75 TTR (0.80) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL21313809 0.74 TTR (0.71) TTRAKR1B1MEN1KMT2AKDM4E
SCHEMBL1787556 0.74 TTR (1.00) TTRAKR1B1MEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 US disclosed
US-3957986-A Antiviral compositions containing bis-basic esters and amides of xanthene and xanthone RICHARDSON-MERRELL INC. (US) 1976-05-18 US disclosed
US-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 US disclosed