SCHEMBL20172419

SCHEMBL20172419

Sc1ccc(-c2ccc(CCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
KCNH2 Q12809 2/20 0.47
FFAR1 O14842 2/20 0.47
TAAR1 Q96RJ0 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HTR2A P28223 2/20 0.42
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
DAO P14920 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL9456420 0.93 MAOB (0.56) MAOBMAOAKCNH2FFAR1TAAR1
SCHEMBL5551465 0.85 FFAR1 (0.60) MAOBMAOAKCNH2FFAR1TAAR1
Tannin Pyrogallol SCHEMBL29187612 0.82 ALDH1A1 (0.56) MAOBMAOAKCNH2FFAR1TAAR1
SCHEMBL331040 0.82 GFER (0.47) MAOBMAOAFFAR1TAAR1ALDH1A1
Biphenyl SCHEMBL23456981 0.79 ALDH1A1 (0.60) MAOBMAOAKCNH2FFAR1TAAR1
SCHEMBL94499 0.79 ALDH1A1 (0.60) TAAR1ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL966905 0.79 ALDH1A1 (0.60) TAAR1ALDH1A1HSD17B10TDP1SMN1; SMN2
Biphenyl SCHEMBL28041385 0.79 ALDH1A1 (0.60) TAAR1ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL12696283 0.79 ALDH1A1 (0.60) TAAR1ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL55138 0.79 MAOB (0.72) MAOBMAOAKCNH2FFAR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323873-B9 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2021-05-19 EP disclosed
EP-3425025-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2021-03-03 EP disclosed
EP-3323873-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2020-08-12 EP disclosed
EP-3425025-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2019-01-09 EP disclosed
EP-3323873-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-05-23 EP disclosed