SCHEMBL22277553

SCHEMBL22277553

C=CC1CCC(OCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.32
FPR2 P25090 1/20 0.30
KDM1A O60341 2/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL22277359 1.00 GPR119 (0.32) GPR119FPR2KDM1AFGFR1FGFR2
SCHEMBL22277495 0.92 GABRA1 (0.33) GPR119
SCHEMBL26209579 0.92 GPR119 (0.36) GPR119FPR2KDM1AFGFR1FGFR2
SCHEMBL15681400 0.91 KDM1A (0.35) FPR2KDM1AFGFR1FGFR2
SCHEMBL22277362 0.90 GPR119 (0.33) GPR119
SCHEMBL22269483 0.90 KDM1A (0.34) FPR2KDM1AFGFR1FGFR2
SCHEMBL24113790 0.88 ESR2 (0.31) FPR2
SCHEMBL24462247 0.87 GPR119 (0.35) GPR119FPR2KDM1AFGFR1FGFR2
SCHEMBL22277436 0.87 KDM1A (0.33) FPR2KDM1AFGFR1FGFR2
SCHEMBL12760221 0.87 FPR2 (0.31) FPR2

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