SCHEMBL9566009

SCHEMBL9566009

CC(=O)CC(=O)C(F)(F)F.[BaH2]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.41
CES1 P23141 6/20 0.39
CES2 O00748 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 1/20 0.39
PLOD2 O00469 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
EPHX1 P07099 1/20 0.35
MAPT P10636 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
SCHEMBL15160 0.97 FAAH (0.42) FAAHCES1CES2MEN1KMT2A
SCHEMBL31456833 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL15063265 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL31167442 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL15063312 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL1537087 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL5935545 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL5929395 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL14244118 0.94 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL945703 0.94 PLOD2 (0.43) FAAHCES1CES2MEN1KMT2A

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
EP-0565715-A1 LIQUEFIED GAS FUEL FOR GENERATING HIGHLY LUMINOUS COLORED FLAME YOSHIBI, CO., LTD. (JP) 1993-10-20 EP disclosed
EP-0182253-B1 REFLECTIVE PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1990-09-05 EP disclosed