SCHEMBL22277231

SCHEMBL22277231

C/C=C/CCC1CCC(C2CCC(COc3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.35
PTGES O14684 2/20 0.35
PPARG P37231 1/20 0.35
PSEN1 P49768 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
KDM1A O60341 1/20 0.32
PDE4A P27815 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
SSTR5 P35346 1/20 0.30
KCNH2 Q12809 1/20 0.30
FFAR1 O14842 1/20 0.30
PPARD Q03181 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
SCHEMBL22277676 0.93 SSTR5 (0.35) FFAR4KDM1ASSTR5KCNH2FFAR1
SCHEMBL15581187 0.90 SSTR5 (0.36) FFAR4KDM1ASSTR5KCNH2FFAR1
SCHEMBL22277563 0.90 CNR2 (0.34) ALOX5PTGESPPARGPSEN1FFAR4
SCHEMBL22277541 0.89 SSTR5 (0.35) FFAR4KDM1ASSTR5KCNH2FFAR1
SCHEMBL22277683 0.89 FFAR4 (0.36) ALOX5PTGESPPARGPSEN1FFAR4
SCHEMBL22277546 0.89 FFAR4 (0.33) ALOX5PTGESPPARGPSEN1FFAR4
SCHEMBL8962944 0.88 PTGES (0.32) ALOX5PTGES
SCHEMBL13417738 0.86 ALOX5 (0.39) ALOX5PTGESPPARGPSEN1FFAR4
SCHEMBL22277520 0.86 CTSL (0.34) FFAR4KDM1A
SCHEMBL22277584 0.85 CNR2 (0.35) ALOX5PTGESPPARGPSEN1FFAR4

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