SCHEMBL22277302

SCHEMBL22277302

C=CCCC1CCC(C2CCC(C3CCC(CCc4ccc(CCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL22277286 0.91 TSHR (0.32)
SCHEMBL22277638 0.89 HTR2A (0.32) CTSLCTSSCTSKHTR2AHTR2C
SCHEMBL22277351 0.88 OPRL1 (0.30)
SCHEMBL22277659 0.88 OPRL1 (0.30)
SCHEMBL22277593 0.87 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL22277684 0.86 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL22277293 0.86 HTR2A (0.30) HTR2AHTR2C
SCHEMBL17154214 0.86 HTR2A (0.30) HTR2AHTR2C
SCHEMBL22277586 0.86 TLR4 (0.35) CTSLCTSSCTSKHTR2AHTR2C
SCHEMBL20346141 0.86 TLR4 (0.35) CTSLCTSSCTSKHTR2AHTR2C

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