SCHEMBL9508307

SCHEMBL9508307

CCCC[C@](F)(C(=O)Cl)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
FAAH O00519 8/20 0.39
CES1 P23141 6/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.38
TSHR P16473 1/20 0.37
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL9508311 1.00 CES2 (0.39) CES2ALDH1A1TP53FAAHCES1
SCHEMBL9510967 0.94 CES2 (0.47) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL9511910 0.92 CES2 (0.50) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL9510909 0.92 CES2 (0.50) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL9510941 0.92 CES2 (0.50) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL9508283 0.92 CES2 (0.50) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL9509017 0.92 CES2 (0.50) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL9509032 0.92 CES2 (0.50) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL6256085 0.80 CES2 (0.41) CES2FAAHCES1MEN1CYP1A2
SCHEMBL6256090 0.80 CES2 (0.41) CES2FAAHCES1MEN1CYP1A2

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