SCHEMBL9333097

SCHEMBL9333097

CCC[C@H]1CC[C@H](C#Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
PTGES O14684 2/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
FFAR4 Q5NUL3 2/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
APP P05067 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7887237 1.00 FFAR1 (0.42) FFAR1PTGESHTR2AHTR2CHTR2B
SCHEMBL9855586 0.91 FFAR1 (0.45) FFAR1PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL9499728 0.91 FFAR1 (0.45) FFAR1PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL24718015 0.85 FFAR1 (0.41) FFAR1PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL9500386 0.84 FFAR1 (0.40) FFAR1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9500527 0.84 FFAR1 (0.40) FFAR1FFAR4DRD2CYP2C9
SCHEMBL9500523 0.84 FFAR1 (0.40) FFAR1FFAR4DRD2CYP2C9
SCHEMBL9500394 0.84 FFAR1 (0.40) FFAR1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8774981 0.83 FFAR1 (0.46) FFAR1PTGESFFAR4CYP2C9ALDH1A1
Fluoride SCHEMBL9841737 0.83 FFAR1 (0.39) FFAR1PTGESFFAR4CYP2C9ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed
EP-0377516-A2 Liquid crystal compounds having high optical anisotropy Chisso Corporation (JP) 1990-07-11 EP disclosed