SCHEMBL28869017

SCHEMBL28869017

C=CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
XDH P47989 1/20 0.38
DAO P14920 2/20 0.37
CES2 O00748 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH2 P05091 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GABRB2 P47870 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL18614934 0.80 MRGPRX4 (0.49) CES2PPARARXRARXRBRXRG
SCHEMBL1330066 0.79 TAAR1 (0.55) IDO1ALDH1A1KDM4EMEN1GAA
SCHEMBL1295656 0.79 IDO1 (0.48) IDO1DAOCES2RXRARXRB
SCHEMBL12505798 0.78 IDO1 (0.48) IDO1DAOCES2TAAR1RXRA
SCHEMBL8002836 0.77 TAAR1 (0.48) IDO1XDHALDH1A1PPARGPPARD
SCHEMBL15549564 0.77 GABRA1 (0.41) XDHALDH1A1PPARGPPARDKDM4E
SCHEMBL27998583 0.77 IDO1 (0.47) IDO1DAOCES2TAAR1RXRA
SCHEMBL18614953 0.76 NOTUM (0.56) CES2MEN1CNR1KMT2A
SCHEMBL215399 0.74 XDH (0.50) XDHALDH1A1PPARGPPARDKDM4E
SCHEMBL42796 0.73 IDO1 (0.52) IDO1DAOCES2TAAR1RXRA

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-109265588-A Fluoropolymer and preparation method thereof 北京航天爱锐科技有限责任公司 2019-01-25 CN disclosed