SCHEMBL9511003

SCHEMBL9511003

CCCCCOC(=O)C(F)(CCCC)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
CES2 O00748 2/20 0.43
EPHX1 P07099 1/20 0.42
TSHR P16473 4/20 0.41
HCAR2 Q8TDS4 2/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL9510974 0.96 NAAA (0.44) NAAACES2EPHX1TSHRHCAR2
SCHEMBL9508174 0.95 NAAA (0.47) NAAACES2EPHX1TSHRHCAR2
SCHEMBL9511994 0.95 NAAA (0.47) NAAACES2EPHX1TSHRHCAR2
SCHEMBL9512029 0.95 NAAA (0.47) NAAACES2EPHX1TSHRHCAR2
SCHEMBL9510983 0.95 NAAA (0.47) NAAACES2EPHX1TSHRHCAR2
SCHEMBL9511931 0.87 NAAA (0.38) NAAACES2EPHX1TSHRHCAR2
SCHEMBL9509807 0.85 MEN1 (0.44) CES2CES1ALDH1A1CYP3A4NPSR1
SCHEMBL9510951 0.84 MEN1 (0.50) CES2CES1FAAHATM
SCHEMBL9509762 0.82 MEN1 (0.53) CES2CES1FAAHATM
SCHEMBL9508242 0.82 MEN1 (0.53) CES2CES1FAAHATM

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