SCHEMBL9833968

SCHEMBL9833968

O=C(O)c1ccc([C@H](F)C(F)(F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.50
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 3/20 0.50
CYP2C9 P11712 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 7/20 0.38
HPGD P15428 6/20 0.38
GRM1 Q13255 3/20 0.37
GRM2 Q14416 2/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL873526 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
Water SCHEMBL8588310 0.98 HSD17B10 (0.49) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL28900515 0.98 HSD17B10 (0.49) HSD17B10TDP1MEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL28444882 0.98 HSD17B10 (0.49) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL27770934 0.87 KMT2A (0.41) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL28070236 0.86 HSD17B10 (0.53) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL28376265 0.85 KEAP1 (0.49) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL28375830 0.85 KDM4E (0.53) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL4890614 0.84 POLB (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL4857668 0.82 FOLH1 (0.46) HSD17B10MEN1CYP2C9KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408672-A4 TOUGH, HIGH PERFORMANCE, ADDITION-TYPE THERMOPLASTIC POLYMERS 1991-04-24 EP disclosed
EP-0408672-A1 TOUGH, HIGH PERFORMANCE, ADDITION-TYPE THERMOPLASTIC POLYMERS THE U.S. GOVERNMENT as represented by THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1991-01-23 EP disclosed
WO-1990003405-A1 TOUGH, HIGH PERFORMANCE, ADDITION-TYPE THERMOPLASTIC POLYMERS UNITED STATES GOVERNMENT, AS REPRESENTED BY THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1990-04-05 WO disclosed