SCHEMBL6517547

SCHEMBL6517547

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CC(C(=O)O)c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.38
KLKB1 P03952 2/20 0.38
PPARG P37231 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.33
TLR4 O00206 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ACACB O00763 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 1/20 0.31
APP P05067 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL6517541 1.00 F11 (0.38) F11KLKB1PPARGLMNACYP2C9
SCHEMBL7046558 0.82 PPARG (0.33) F11KLKB1PPARGLMNACYP2C9
SCHEMBL7046559 0.82 PPARG (0.33) F11KLKB1PPARGLMNACYP2C9
SCHEMBL6520810 0.81 FFAR1 (0.37) LMNAALDH1A1MAPT
SCHEMBL16979245 0.80 IDO1 (0.38) F11KLKB1LMNACYP2C9ALDH1A1
SCHEMBL17997300 0.79 PDE2A (0.36) CYP2C9
SCHEMBL6520754 0.79 HPGD (0.45) LMNACYP2C9TLR4ALDH1A1MAPT
SCHEMBL6520750 0.79 HPGD (0.45) LMNACYP2C9TLR4ALDH1A1MAPT
SCHEMBL6517546 0.79 HPGD (0.45) LMNACYP2C9TLR4ALDH1A1MAPT
SCHEMBL15394810 0.79 IDO1 (0.35) F11KLKB1ACACB

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
EP-1179522-B1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2005-12-07 EP claimed