SCHEMBL9146142

SCHEMBL9146142

CCC[C@H](C)Oc1ccc(-c2ccc(C(C)=O)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HSD17B1 P14061 2/20 0.43
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.37
DHODH Q02127 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
GRM2 Q14416 1/20 0.37
SLC6A9 P48067 1/20 0.37
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9150233 0.90 PDE4A (0.44) KIF11TAS1R3TAS1R1HSD17B1PDE4A
SCHEMBL9510882 0.90 PDE4A (0.44) KIF11TAS1R3TAS1R1HSD17B1PDE4A
SCHEMBL1749632 0.89 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1TSHRSMN1; SMN2
SCHEMBL9152281 0.84 KIF11 (0.40) KIF11TAS1R3TAS1R1PDE4APDE4B
SCHEMBL30837193 0.84 KIF11 (0.54) KIF11HSD17B1ALDH1A1TSHRMAPT
SCHEMBL1748872 0.81 RAB9A (0.56) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL9149323 0.81 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL27643991 0.80 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1TSHRMAPT
SCHEMBL13708745 0.79 MAPT (0.46) HSD17B1MAPTSMN1; SMN2GRM2NPC1
SCHEMBL9145785 0.77 NPC1 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed