SCHEMBL22277673

SCHEMBL22277673

C=CCCC1CCC(C2CCC(COc3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
KDM1A O60341 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
PDK2 Q15119 1/20 0.31
GRM2 Q14416 1/20 0.31
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
DGAT1 O75907 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL22277192 0.96 SSTR5 (0.36) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL22277563 0.93 CNR2 (0.34) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL22277576 0.91 FFAR4 (0.37) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL22277225 0.90 SSTR5 (0.36) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL22277584 0.89 CNR2 (0.35) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL22277676 0.89 SSTR5 (0.35) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL22277527 0.88 FFAR4 (0.38) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL13417733 0.87 RIPK1 (0.35) SSTR5KCNH2FFAR4KDM1A
SCHEMBL22277428 0.87 FFAR4 (0.40) FFAR4
SCHEMBL22277690 0.86 CTSL (0.35) FFAR4KDM1APDK2GRM2

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed