SCHEMBL9508220

SCHEMBL9508220

CCCCCCCCCC(F)(C(=O)OC(C)C)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CES2 O00748 4/20 0.43
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9510929 1.00 LMNA (0.47) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9508969 1.00 LMNA (0.47) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9509054 1.00 LMNA (0.47) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9508293 1.00 LMNA (0.47) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9509780 0.98 LMNA (0.44) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9511953 0.93 LMNA (0.42) LMNACES2FAAHCES1MEN1
SCHEMBL10442025 0.86 FAAH (0.40) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9675393 0.85 LMNA (0.36) LMNACES2LPAR1LPAR3FAAH
SCHEMBL9510980 0.81 CES2 (0.47) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9508290 0.81 CES2 (0.47) CES2LPAR1LPAR3FAAHCES1

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-0350334-B1 A process for producing fluorine-containing compounds NIPPON MINING CO (JP) 1993-10-27 EP disclosed
US-5126482-A Process for producing fluorine-containing carboxylic acids NIPPON MINING CO., LTD. (JP) 1992-06-30 US disclosed
EP-0350334-A2 A process for producing fluorine-containing compounds NIKKO KYODO CO., LTD. (JP) 1990-01-10 EP disclosed