SCHEMBL29009786

SCHEMBL29009786

O=C(O)Cc1cc(F)cc(F)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.45
RXRB P28702 5/20 0.45
RXRG P48443 5/20 0.45
RIPK1 Q13546 5/20 0.40
PTGS2 P35354 1/20 0.38
TSHR P16473 2/20 0.37
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
CXCL8 P10145 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
AGBL2 Q5U5Z8 2/20 0.35
PTGS1 P23219 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
SCHEMBL30428478 1.00 RXRA (0.45) RXRARXRBRXRGRIPK1PTGS2
SCHEMBL30428330 0.84 RXRA (0.50) RXRARXRBRXRGPTGS2CXCL8
SCHEMBL869863 0.77 RIPK1 (0.47) RIPK1TSHRAKR1B1CXCL8AGBL2
SCHEMBL29459925 0.77 RIPK1 (0.47) RIPK1TSHRAKR1B1CXCL8AGBL2
SCHEMBL29009790 0.76 RXRA (0.50) RXRARXRBRXRGTSHRAKR1B1
SCHEMBL29009843 0.75 RXRA (0.42) RXRARXRBRXRGPTGS2TSHR
SCHEMBL20440116 0.74 AGBL2 (0.39) RIPK1PTGS2TSHRAKR1A1AKR1B1
SCHEMBL31584219 0.71 RXRA (0.44) RXRARXRBRXRGRIPK1PTGS2
SCHEMBL8463860 0.71 TSHR (0.41) RXRARXRBRXRGRIPK1TSHR
SCHEMBL154096 0.71 RXRA (0.49) RXRARXRBRXRGPTGS2TSHR

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