SCHEMBL9541871

SCHEMBL9541871

O=C(Oc1ccccc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
BACE1 P56817 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
AR P10275 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 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
SCHEMBL12611417 0.95 BACE1 (0.47) FABP3FABP7FABP5L3MBTL1TDP1
Iodide SCHEMBL4864888 0.83 TUBB4A (0.47) FABP3L3MBTL1TDP1HTTBACE1
SCHEMBL28404237 0.82 ELANE (0.47) TDP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9542563 0.82 FABP3 (0.49) FABP3FABP7FABP5L3MBTL1TDP1
SCHEMBL16236883 0.82 ELANE (0.59) FABP3FABP7FABP5L3MBTL1TDP1
SCHEMBL825354 0.80 KDM4E (0.48) FABP3FABP7FABP5L3MBTL1TDP1
SCHEMBL1639323 0.79 FABP3 (0.56) FABP3FABP7FABP5L3MBTL1TDP1
SCHEMBL28487364 0.79 FABP3 (0.56) FABP3FABP7FABP5L3MBTL1TDP1
SCHEMBL30563023 0.79 FABP3 (0.56) FABP3FABP7FABP5L3MBTL1TDP1
SCHEMBL1638833 0.79 FABP3 (0.56) FABP3FABP7FABP5L3MBTL1TDP1

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
WO-1993014065-A1 PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed