SCHEMBL28062838

SCHEMBL28062838

CCC(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
THRB P10828 1/20 0.40
KIF11 P52732 1/20 0.39
PPARG P37231 1/20 0.38
PSMD14 O00487 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HCRTR1 O43613 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 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
SCHEMBL28062889 0.90 RAB9A (0.38) KDM4EALDH1A1HPGDKIF11RAB9A
SCHEMBL28206987 0.85 KIF11 (0.47) KDM4EALDH1A1HPGDTHRBKIF11
SCHEMBL28062757 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HPGDKIF11PPARG
SCHEMBL28207446 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL28062893 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDRECQLRAB9A
SCHEMBL6824313 0.77 MEN1 (0.56) KDM4EALDH1A1HPGDKIF11MEN1
SCHEMBL28206980 0.76 RAB9A (0.52) KDM4EALDH1A1HPGDTHRBKIF11
SCHEMBL28207454 0.76 MAP2 (0.47) KDM4EHPGDRXFP1MEN1KMT2A
SCHEMBL28206996 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDTDP1RAB9A
SCHEMBL28207487 0.74 KIF11 (0.43) KDM4EKIF11RAB9AFGFR1FLT1

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-105646327-A 2-perfluoroalkyl indole derivative and synthesis method thereof 上海大学 2016-06-08 CN disclosed