SCHEMBL2880832

SCHEMBL2880832

CCCCC(F)(F)C(=O)OF

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.53
FAAH O00519 8/20 0.39
CES1 P23141 6/20 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
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
EPHX1 P07099 1/20 0.34
FDPS P14324 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21802245 0.92 CES2 (0.66) CES2FAAHCES1MEN1KMT2A
SCHEMBL28327210 0.92 CES2 (0.66) CES2FAAHCES1MEN1KMT2A
SCHEMBL10970451 0.83 CES2 (0.48) CES2FAAHCES1MEN1KMT2A
SCHEMBL28670346 0.81 CES2 (0.47) CES2FAAHCES1MEN1KMT2A
SCHEMBL1619413 0.81 CES2 (0.47) CES2FAAHCES1MEN1KMT2A
SCHEMBL29077638 0.79 CES2 (0.46) CES2FAAHCES1MEN1KMT2A
SCHEMBL27777245 0.79 CES2 (0.41) CES2FAAHCES1MEN1KMT2A
SCHEMBL7779036 0.78 CYP4F2 (0.44) CES2FAAHCES1MEN1KMT2A
SCHEMBL11534492 0.77 CES2 (0.57) CES2FAAHCES1MEN1KMT2A
SCHEMBL1895685 0.77

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013006000-A2 METHOD FOR DETECTING BREAST CANCER USING RESPIRATORY GAS 주식회사 알앤엘내츄럴 (KR) 2013-01-10 WO claimed
WO-2013006000-A2 METHOD FOR DETECTING BREAST CANCER USING RESPIRATORY GAS 주식회사 알앤엘내츄럴 (KR) 2013-01-10 WO disclosed
US-7759047-B2 Resist protective film composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-7666572-B2 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-02-23 US disclosed
US-20070298355-A1 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-12-27 US disclosed
US-20070275326-A1 Resist protective film composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-11-29 US disclosed