SCHEMBL27499985

SCHEMBL27499985

CCP(=O)(C(=O)c1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
F2R P25116 1/20 0.42
PTGES O14684 1/20 0.41
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
POLQ O75417 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
PTPRC P08575 1/20 0.39
PTGS1 P23219 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL27500593 0.86 TSHR (0.45) GAALMNATSHRMEN1ALDH1A1
SCHEMBL7187317 0.85 GAA (0.41) GAALMNATSHRMEN1ALDH1A1
SCHEMBL27484256 0.85 LMNA (0.44) GAALMNAALDH1A1F2RPTGES
SCHEMBL27499972 0.84 GAA (0.46) GAALMNAKCNK3KCNK9CTNNB1
SCHEMBL27500286 0.84 CETP (0.42) GAALMNATSHRF2R
SCHEMBL27561240 0.84 CETP (0.42) GAALMNATSHRF2R
SCHEMBL27485665 0.84 CETP (0.42) GAALMNATSHRF2R
SCHEMBL27484267 0.82 ALDH1A1 (0.48) GAALMNAALDH1A1F2RPTGES
SCHEMBL27486322 0.80 LMNA (0.51) GAALMNAF2RKCNK3KCNK9
SCHEMBL7184553 0.74 F2R (0.41) GAALMNATSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN disclosed