SCHEMBL29010025

SCHEMBL29010025

O=C(O)C(F)(I)C(F)(F)F.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
PTPN1 P18031 4/20 0.41
PTPN5 P54829 1/20 0.41
DHODH Q02127 2/20 0.39
ACMSD Q8TDX5 1/20 0.38
MGLL Q99685 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 1/20 0.36
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
KIF11 P52732 1/20 0.35
HDAC2 Q92769 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
SCHEMBL29009765 0.79 KMO (0.45) KMOPTPN1PTPN5DHODHACMSD
SCHEMBL4856022 0.78 THRB (0.39)
SCHEMBL4853868 0.75 THRB (0.38)
SCHEMBL4857705 0.75 THRB (0.38)
SCHEMBL29010127 0.73 KMO (0.40) KMOPTPN1PTPN5DHODHACMSD
SCHEMBL27960898 0.73 KMO (0.56) KMOPTPN1PTPN5DHODHACMSD
Bicarbonate SCHEMBL11165825 0.72 KMO (0.61) KMOPTPN1DHODHACMSDMGLL
SCHEMBL29009793 0.72 DHODH (0.45) KMOPTPN1PTPN5DHODHACMSD
SCHEMBL4599697 0.72 KMO (0.50) KMOPTPN1PTPN5DHODHACMSD
Oxalic Acid SCHEMBL27820733 0.70 KMO (0.58) KMOPTPN1DHODHACMSDMGLL

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
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed