SCHEMBL16271133

SCHEMBL16271133

O=C(O)c1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(C(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.49
▸ KMO O15229 1/20 0.46
▸ HNF4A P41235 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ DDT P30046 1/20 0.41
▸ TTR P02766 4/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ ACMSD Q8TDX5 2/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ DHFR P00374 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ATM Q13315 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
SCHEMBL6262453 0.93 HNF4A (0.50) DHODHKMOHNF4AKDM4EPTPN1
SCHEMBL29082654 0.85 KMO (0.50) DHODHKMOHNF4AKDM4ERXRA
SCHEMBL15569353 0.84 DHODH (0.58) DHODHKMOHNF4ARXRARXRB
SCHEMBL16271134 0.80 TTR (0.49) KMOHNF4AKDM4EPTPN1TTR
SCHEMBL16271127 0.79 TTR (0.47) KMOHNF4AKDM4EPTPN1TTR
SCHEMBL16271124 0.79 CA2 (0.40) DHODHKMOHNF4AKDM4ERXRA
SCHEMBL28910860 0.78 DHODH (0.50) DHODHKMOHNF4ADDTFOLH1
SCHEMBL27893408 0.78 DDT (0.57) DHODHKMOHNF4APTPN1DDT
SCHEMBL27588778 0.77 TTR (0.53) DHODHKMOHNF4AKDM4ETTR
SCHEMBL28457215 0.77 TPMT (0.46) DHODHKMOKDM4ERXRARXRB

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
CN-114223041-A Polymer functionalized magnetic particle embodiments for solute separation and devices and systems using the same 巴特尔纪念研究院 2022-03-22 — — CN disclosed
US-9329154-B1 Devices and methods to detect and quantify trace gases SANDIA CORPORATION (US) 2016-05-03 — — US disclosed
CN-105026854-A Adsorption systems using metal-organic frameworks ARKEMA INC 2015-11-04 — — CN disclosed
US-8904850-B1 Materials, methods and devices to detect and quantify water vapor concentrations in an atmosphere SANDIA CORPORATION (US) 2014-12-09 — — US disclosed
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