SCHEMBL28064017

SCHEMBL28064017

CCC(O)C(=O)Oc1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
FAAH O00519 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL28029176 0.84 CYP4F2 (0.36) CYP4F2CYP4A11TAS1R3TAS1R1FAAH
SCHEMBL27915962 0.83 KMT2A (0.37) CYP4F2CYP4A11TAS1R3TAS1R1ALOX15
SCHEMBL1644991 0.80 CYP4F2 (0.36) CYP4F2CYP4A11TAS1R3TAS1R1FAAH
SCHEMBL27502579 0.79 TDP1 (0.35) CYP4F2CYP4A11MAPK1HTTMAPT
SCHEMBL10181392 0.78 ALOX15 (0.45) CYP4F2CYP4A11TAS1R3TAS1R1ALOX15
SCHEMBL10180490 0.76 GABRA1 (0.35) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL10180593 0.75 ALOX15 (0.47) CYP4F2CYP4A11TAS1R3TAS1R1GABRA1
SCHEMBL1645878 0.75 CYP4F2 (0.37) CYP4F2CYP4A11MRGPRX4GABRA1GABRG2
SCHEMBL27999254 0.75 CARM1 (0.36) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL27967595 0.74 CYP4F2 (0.36) CYP4F2CYP4A11GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104387259-B One is prepared the method for 2,4,5-trifluoro benzene acetic acid QUZHOU UNIVERSITY (CN) 2016-05-04 CN disclosed