SCHEMBL29254151

SCHEMBL29254151

O=C1OC(=O)c2c1cccc2-c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOTUM Q6P988 2/20 0.44
PSMB8 P28062 1/20 0.44
CES1 P23141 1/20 0.41
C1R P00736 1/20 0.41
STK10 O94804 4/20 0.41
SLK Q9H2G2 4/20 0.41
PDK2 Q15119 1/20 0.39
HSD11B1 P28845 1/20 0.39
TYMS P04818 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMO O15229 2/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL11729711 0.87 ALOX15 (0.44) ALOX15TDP1NOTUMPSMB8CES1
SCHEMBL31548711 0.80 TDP1 (0.60) ALOX15TDP1CES1TYMSALDH1A1
SCHEMBL2087097 0.80 TDP1 (0.60) ALOX15TDP1CES1TYMSALDH1A1
SCHEMBL28711707 0.80 ALOX15 (0.39) ALOX15TDP1NOTUMPSMB8CES1
SCHEMBL10416667 0.79 ALOX15 (0.38) ALOX15TDP1NOTUMPSMB8CES1
SCHEMBL29126296 0.78 CES1 (0.47) NOTUMPSMB8CES1STK10SLK
SCHEMBL544762 0.76 ALOX15 (0.41) ALOX15TDP1NOTUMPSMB8CES1
SCHEMBL197671 0.76 HSD11B1 (0.56) ALOX15TDP1NOTUMPSMB8HSD11B1
SCHEMBL8597036 0.74 ALOX15 (0.39) ALOX15TDP1NOTUMPSMB8CES1
SCHEMBL11887459 0.74 ALOX15 (0.39) ALOX15TDP1NOTUMPSMB8CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005921-A High-transparency polyimide film material for flexible display and preparation method thereof 大连理工大学盘锦产业技术研究院 2024-05-10 CN claimed
CN-118005921-A High-transparency polyimide film material for flexible display and preparation method thereof 大连理工大学盘锦产业技术研究院 2024-05-10 CN disclosed