SCHEMBL14219307

SCHEMBL14219307

C[C@@H](Cc1c(F)cc(CCc2ccc(-c3ccc(C#N)cc3)cc2)cc1F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
EP300 Q09472 7/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
LSS P48449 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MAPK14 Q16539 1/20 0.35
HAT1 O14929 1/20 0.35

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
SCHEMBL14219561 0.95 TSHR (0.40) TSHRHSD17B10HRH3EP300MMP12
SCHEMBL14219430 0.89 KIF11 (0.41) EP300CNR1CNR2GRIA1GRIA2
SCHEMBL14220014 0.86 POLB (0.45)
SCHEMBL14219380 0.86 POLB (0.45)
SCHEMBL14219311 0.85 SIGMAR1 (0.40) HSD17B10
SCHEMBL14219303 0.85 SIGMAR1 (0.40) HSD17B10
SCHEMBL14219376 0.85 TSHR (0.48) TSHRHSD17B10HRH3EP300MMP12
SCHEMBL14219553 0.85 TSHR (0.48) TSHRHSD17B10HRH3EP300MMP12
SCHEMBL14219900 0.85 TSHR (0.48) TSHRHSD17B10HRH3EP300MMP12
SCHEMBL14219892 0.85 TSHR (0.48) TSHRHSD17B10HRH3EP300MMP12

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
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed