SCHEMBL9489397

SCHEMBL9489397

O=C([CH]I)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
MAPK1 P28482 2/20 0.64
AKT1 P31749 1/20 0.61
NFE2L2 Q16236 1/20 0.58
MAPT P10636 4/20 0.54
RECQL P46063 3/20 0.54
LMNA P02545 3/20 0.54
PLIN1 O60240 2/20 0.54
PLIN5 Q00G26 2/20 0.54
ABHD5 Q8WTS1 2/20 0.54
BCHE P06276 1/20 0.54
TNFRSF1A P19438 1/20 0.54
ACHE P22303 1/20 0.54
MAOB P27338 1/20 0.54
CYP1B1 Q16678 1/20 0.54
CES1 P23141 3/20 0.52
CES2 O00748 2/20 0.52
TSHR P16473 2/20 0.52
DAO P14920 1/20 0.52

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
SCHEMBL875001 0.81 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL2954318 0.80 MAPT (0.70) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL2954324 0.80 MAPT (0.70) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL11073619 0.80 MAPT (0.70) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL7147542 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL21429061 0.79 MAPT (0.61) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL28905278 0.79 MAPT (0.61) ALDH1A1TDP1MAPK1AKT1NFE2L2
Phenylglyoxal SCHEMBL57493 0.78 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1AKT1NFE2L2
Phenylglyoxal SCHEMBL16745575 0.78 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL126877 0.78 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1AKT1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255962-B1 OPTICALLY ACTIVE MESOMORPHIC COMPOUND CANON KABUSHIKI KAISHA (JP) 1993-01-27 EP disclosed
US-5167857-A Optically active, optical modulation CANON KABUSHIKI KAISHA (JP) 1992-12-01 US disclosed
US-5143643-A Liquid crystals CANON KABUSHIKI KAISHA (JP) 1992-09-01 US disclosed
US-5114613-A High-speed responsive, stable films; controlling the mesomorphic state and temperature CANON KABUSHIKI KAISHA (JP) 1992-05-19 US disclosed
EP-0175591-B1 LACTIC ACID DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE CANON KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 US disclosed
US-4882085-A Lactic acid derivative and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-11-21 US disclosed
US-4880560-A ENANTIOMORPHS, PHENYL OR BIPHENYL CARBOXYLIC ACID CANON KABUSHIKI KAISHA (JP) 1989-11-14 US disclosed
US-4812259-A POLARIZATION, FERROELECTRICITY CANON KABUSHIKI KAISHA (JP) 1989-03-14 US disclosed
EP-0255962-A2 Optically active mesomorphic compound CANON KABUSHIKI KAISHA (JP) 1988-02-17 EP disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP disclosed