SCHEMBL9511953

SCHEMBL9511953

CCCCC(F)(C(=O)OC(C)C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CES2 O00748 4/20 0.34
FAAH O00519 8/20 0.33
CTSK P43235 1/20 0.33
PTPN1 P18031 1/20 0.33
CES1 P23141 6/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9509780 0.95 LMNA (0.44) LMNACES2FAAHCES1MEN1
SCHEMBL9509054 0.93 LMNA (0.47) LMNACES2FAAHCES1MEN1
SCHEMBL9508220 0.93 LMNA (0.47) LMNACES2FAAHCES1MEN1
SCHEMBL9510929 0.93 LMNA (0.47) LMNACES2FAAHCES1MEN1
SCHEMBL9508969 0.93 LMNA (0.47) LMNACES2FAAHCES1MEN1
SCHEMBL9508293 0.93 LMNA (0.47) LMNACES2FAAHCES1MEN1
SCHEMBL27836853 0.81 LMNA (0.44) LMNAFAAHCTSKMEN1KMT2A
SCHEMBL9675393 0.80 LMNA (0.36) LMNACES2FAAHMEN1KMT2A
SCHEMBL9511958 0.79 CES2 (0.37) CES2FAAHCES1MEN1CYP1A2
SCHEMBL10442025 0.79 FAAH (0.40) LMNACES2FAAHCES1MEN1

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-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