SCHEMBL9508283

SCHEMBL9508283

CCCCCCCCC(F)(C(=O)Cl)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
FAAH O00519 7/20 0.44
CES1 P23141 5/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SMPD1 P17405 2/20 0.41
FDPS P14324 1/20 0.41

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
SCHEMBL9510909 1.00 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9509032 1.00 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9510941 1.00 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9509017 1.00 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9511910 1.00 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9510967 0.98 CES2 (0.47) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9508311 0.92 CES2 (0.39) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9508307 0.92 CES2 (0.39) CES2LPAR1LPAR3FAAHCES1
SCHEMBL6251804 0.82 CES2 (0.52) CES2LPAR1LPAR3FAAHCES1
SCHEMBL9508334 0.82 CES2 (0.52) 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